Machine Learning Jobs in Lausanne.
All active Machine Learning roles based in Lausanne.
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Computational Drug Designer, London, Lausanne
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Isomorphic Labs is applying frontier AI to help unlock deeper scientific insights, faster breakthroughs, and life-changing medicines with an ambition to solve all disease.
The future is coming. A future enabled and enriched by the incredible power of machine learning. A future in which diseases are curtailed or cured starting with better and faster drug discovery.
Come and be part of an interdisciplinary team driving groundbreaking innovation and play a meaningful role in contributing towards us achieving our ambitious goals, while being a part of an inspiring and collaborative culture.
The world we want tomorrow is the one we’re building today. It starts with the culture at this company. It starts with you.
About Iso
Isomorphic Labs (IsoLabs) was launched in 2021 to advance human health by building on and beyond the Nobel-winning AlphaFold system. Since then, our interdisciplinary team of drug discovery experts and machine learning specialists has built powerful new predictive and generative AI models that accelerate scientific discovery at digital speed.
Our name comes from the belief that there is an underlying symmetry between biology and information science. By harnessing AI’s powerful capabilities, we can use it to model complex biological phenomena to help design novel molecules, anticipate how drugs will perform and develop innovative medicines to treat and cure some of the world’s most devastating diseases.
We have built a world-leading drug design engine comprising AI models that are capable of working across multiple therapeutic areas and drug modalities. We are continually innovating on model architecture and developing cutting-edge capabilities to advance rational drug design.
Every day, and with each new breakthrough, we’re getting closer to the promise of digital biology, and achieving our ambitious mission to one day solve all disease with the help of AI.
Your impact
You will play an integral role in our drug discovery project teams, applying your knowledge and track record of modern drug design principles to provide strategic input to advance our programs. You will apply the latest AI to computational drug design, gaining hands-on experience using state-of-the-art computational tools for real-world drug discovery challenges. Alongside world-leading AI/ML Drug Design Platform teams, you will deliver scientific expertise and strategic direction to drive improvements in our platform.
If you are a skilled and ambitious scientist looking to take the next step in your career, joining Isomorphic Labs now will lift you out of your comfort zone and provide you with an amazing opportunity for personal growth and development.
What you will do
- Apply your expertise in computational drug design to solve drug design problems and provide technical direction to our Platform teams.
- Collaborate internally and with third party organisations to support the data-driven delivery of high quality designs, and solutions to complex technical problems.
- Prepare detailed scientific proposals and reports to support new and ongoing drug discovery programs.
- Mentor and support the development of more junior colleagues in our growing team.
- Embrace and champion our culture of inclusion and continuous professional development.
Skills and qualifications
Essential:
- PhD in Computational Chemistry, Medicinal Chemistry, Synthetic Organic Chemistry (or a related technical field), or equivalent industrial experience.
- 5+ years industrial experience in computational chemistry (CADD), operating within a biotech or pharma setting.
- Strong foundational knowledge of modern computational chemistry, including core computational chemistry concepts (e.g. cheminformatics, virtual screening, docking, machine learning models, model assessment).
- Experience of contributing to structure-based drug design (SBDD) problems, with a proven track record of success.
- Experience of writing and implementing Python scripts, or utilising pipelining tools, to support project teams in cheminformatic and computational chemistry design workflows.
- A genuine passion and enthusiasm for applying AI/ML to drug design and how this can transform the field.
- Excellent communication (written and verbal) and interpersonal skills, with an ability to work effectively in a cross-functional, collaborative team environment.
- A strong growth mindset, adaptability, and eagerness to learn new concepts and techniques.
Nice to have:
- Experience working with or managing activities at contract research organisations (CROs).
- Familiarity with medicinal chemistry techniques (e.g. data analysis software, ADMET principles).
- Knowledge of other specific drug discovery approaches like fragment-based drug design (FBDD), and alternative modalities like PROTACs, molecular glues, PPI inhibitors or stabilisers etc.
- Basic understanding of drug metabolism and pharmacokinetics (DMPK) principles.
- Fluency in Python with ability to write code for new tools.
- Track record of authorship of relevant scientific manuscripts and/or inventorship of composition of matter patents.
Culture and values
We are guided by our shared values. It's not about finding people who think and act in the same way. These values help to guide our work and will continue to strengthen it.
Thoughtful
Thoughtful at Iso is about curiosity, creativity and care. It is about good people doing good, rigorous and future-making science every single day.
Brave
Brave at Iso is about fearlessness, but it’s also about initiative and integrity. The scale of the challenge demands nothing less.
Determined
Determined at Iso is the way we pursue our goal. It’s a confidence in our hypothesis, as well as the urgency and agility needed to deliver on it. Because disease won’t wait, so neither should we.
Together
Together at Iso is about connection, collaboration across fields and catalytic relationships. It’s knowing that transformation is a group project, and remembering that what we’re doing will have a real impact on real people everywhere.
Creating an extraordinary company
We believe that to be successful we need a team with a range of skills and talents. We're building an environment where collaboration is fundamental, learning is shared and every employee feels supported and able to thrive. We value unique experiences, knowledge, backgrounds, and perspectives, and harness these qualities to create extraordinary impact.
We are committed to equal employment opportunities regardless of sex, race, religion or belief, ethnic or national origin, disability, age, citizenship, marital, domestic or civil partnership status, sexual orientation, gender identity, pregnancy or related condition (including breastfeeding) or any other basis protected by applicable law. If you have a disability or additional need that requires accommodation, please do not hesitate to let us know.
Hybrid working
It’s hugely important for us to share knowledge and build strong relationships with each other, and we find it easier to do this if we spend time together in person. This is why we follow a hybrid model, and would require you to be able to come into the office 3 days a week (currently Tuesday, Wednesday, and one other day depending on which team you’re in). If you have additional needs that would prevent you from following this hybrid approach, we’d be happy to talk through these if you’re selected for an initial screening call.
Please note that when you submit an application, your data will be processed in line with our privacy policy.
Ready to apply?
Apply to Isomorphic Labs
ML Research Engineer, London
Share this job
Isomorphic Labs is applying frontier AI to help unlock deeper scientific insights, faster breakthroughs, and life-changing medicines with an ambition to solve all disease.
The future is coming. A future enabled and enriched by the incredible power of machine learning. A future in which diseases are curtailed or cured starting with better and faster drug discovery.
Come and be part of an interdisciplinary team driving groundbreaking innovation and play a meaningful role in contributing towards us achieving our ambitious goals, while being a part of an inspiring and collaborative culture.
The world we want tomorrow is the one we’re building today. It starts with the culture at this company. It starts with you.
About Iso
Isomorphic Labs (IsoLabs) was launched in 2021 to advance human health by building on and beyond the Nobel-winning AlphaFold system. Since then, our interdisciplinary team of drug discovery experts and machine learning specialists has built powerful new predictive and generative AI models that accelerate scientific discovery at digital speed.
Our name comes from the belief that there is an underlying symmetry between biology and information science. By harnessing AI’s powerful capabilities, we can use it to model complex biological phenomena to help design novel molecules, anticipate how drugs will perform and develop innovative medicines to treat and cure some of the world’s most devastating diseases.
We have built a world-leading drug design engine comprising AI models that are capable of working across multiple therapeutic areas and drug modalities. We are continually innovating on model architecture and developing cutting-edge capabilities to advance rational drug design.
Every day, and with each new breakthrough, we’re getting closer to the promise of digital biology, and achieving our ambitious mission to one day solve all disease with the help of AI.
Research Engineering (Machine Learning), London
We are looking for Research Engineers with different levels of experience - Mid through to Senior, Staff, Principal or equivalent levels.
Your impact
This is an exciting opportunity for you to contribute to frontier research at the intersection of AI and drug design.
Working in a highly creative, iterative environment, you will be partnering with scientists and engineers to advance foundational models that will transform the biopharmaceutical world as we know it.
You will draw upon your existing engineering and Machine Learning experience whilst learning from those around you, to apply novel techniques and ideas to newly encountered computational biology and chemistry problems.
What you will do
Implementation & Optimisation:
- Translate research concepts into practical implementations by developing and optimising state-of-the-art AI models, and building and maintaining robust codebases, data pipelines, and infrastructure for training and evaluation.
Experimentation & Evaluation:
- Design, implement, and run experiments to evaluate the performance and robustness of ML models, using a full spectrum of state-of-the-art machine learning methods. Evaluating, tuning, and maintaining AI/ML models (which includes collecting and preparing data as needed)
Evaluation & Inference:
- Implement algorithms and software to analyse and evaluate the performance of AI models.
- Optimising performance of AI/ML models such as Diffusion models, Transformers, GNNs, leveraging a deep understanding of the AI/ML hardware+software stack
- Advise on how to bring AI/ML models to production and/or integrating them into product offerings, and monitoring and refining their behavior.
- Developing specialised tools/frameworks/infrastructure to aid in the work above
Collaboration & Knowledge Sharing:
- Work closely with research scientists and engineers, contributing to team discussions, sharing knowledge, and actively participating in code reviews to foster a collaborative environment.
Innovation & Impact:
- Proactively identify and address technical challenges, stay updated on the latest AI advancements, and focus on developing solutions that enable scaling our wider foundation and applied model platforms.
- Ability to execute on independent engineering projects and software development towards research goals.
Skills and Qualifications
Essential
- PhD in technical subject with major engineering component and exposure to AI/ML, or BSc, MSc and 2+ years of specific experience working on ML model development:
- Strong general engineering experience, as evidenced by exposure to one or more of:
- Software design / algorithms, especially for deep learning frameworks
- Modern ML frameworks such as JAX, PyTorch or TensorFlow
- Distributed systems and runtimes
- Compilers (e.g. XLA, Triton, CUDA, Pallas, …)
- Large scale model training and serving infrastructure
- Experience in navigating complex research codebases
- Databases and data processing pipelines
- Numerical methods, simulation, optimisation
- Strong fundamentals in mathematics, statistics, linear algebra
- Experience with the full ML research and development lifecycle.
- Strong understanding of ML theory and applications.
- Strong understanding of data structures and algorithms.
Nice to have
- Interest in chemistry and biology.
- Experience working with biomedical data.
- Knowledge of the pharmaceutical industry, ideally with a focus on drug discovery.
Culture and values
We are guided by our shared values. It's not about finding people who think and act in the same way. These values help to guide our work and will continue to strengthen it.
Thoughtful
Thoughtful at Iso is about curiosity, creativity and care. It is about good people doing good, rigorous and future-making science every single day.
Brave
Brave at Iso is about fearlessness, but it’s also about initiative and integrity. The scale of the challenge demands nothing less.
Determined
Determined at Iso is the way we pursue our goal. It’s a confidence in our hypothesis, as well as the urgency and agility needed to deliver on it. Because disease won’t wait, so neither should we.
Together
Together at Iso is about connection, collaboration across fields and catalytic relationships. It’s knowing that transformation is a group project, and remembering that what we’re doing will have a real impact on real people everywhere.
Creating an extraordinary company
We believe that to be successful we need a team with a range of skills and talents. We're building an environment where collaboration is fundamental, learning is shared and every employee feels supported and able to thrive. We value unique experiences, knowledge, backgrounds, and perspectives, and harness these qualities to create extraordinary impact.
We are committed to equal employment opportunities regardless of sex, race, religion or belief, ethnic or national origin, disability, age, citizenship, marital, domestic or civil partnership status, sexual orientation, gender identity, pregnancy or related condition (including breastfeeding) or any other basis protected by applicable law. If you have a disability or additional need that requires accommodation, please do not hesitate to let us know.
Hybrid working
It’s hugely important for us to share knowledge and build strong relationships with each other, and we find it easier to do this if we spend time together in person. This is why we follow a hybrid model, and would require you to be able to come into the office 3 days a week (currently Tuesday, Wednesday, and one other day depending on which team you’re in). If you have additional needs that would prevent you from following this hybrid approach, we’d be happy to talk through these if you’re selected for an initial screening call.
Please note that when you submit an application, your data will be processed in line with our privacy policy.
Ready to apply?
Apply to Isomorphic Labs
General Application - Register Your Interest
Share this job
Isomorphic Labs is applying frontier AI to help unlock deeper scientific insights, faster breakthroughs, and life-changing medicines with an ambition to solve all disease.
The future is coming. A future enabled and enriched by the incredible power of machine learning. A future in which diseases are curtailed or cured starting with better and faster drug discovery.
Come and be part of an interdisciplinary team driving groundbreaking innovation and play a meaningful role in contributing towards us achieving our ambitious goals, while being a part of an inspiring and collaborative culture.
The world we want tomorrow is the one we’re building today. It starts with the culture at this company. It starts with you.
About Iso
Isomorphic Labs (IsoLabs) was launched in 2021 to advance human health by building on and beyond the Nobel-winning AlphaFold system. Since then, our interdisciplinary team of drug discovery experts and machine learning specialists has built powerful new predictive and generative AI models that accelerate scientific discovery at digital speed.
Our name comes from the belief that there is an underlying symmetry between biology and information science. By harnessing AI’s powerful capabilities, we can use it to model complex biological phenomena to help design novel molecules, anticipate how drugs will perform and develop innovative medicines to treat and cure some of the world’s most devastating diseases.
We have built a world-leading drug design engine comprising AI models that are capable of working across multiple therapeutic areas and drug modalities. We are continually innovating on model architecture and developing cutting-edge capabilities to advance rational drug design.
Every day, and with each new breakthrough, we’re getting closer to the promise of digital biology, and achieving our ambitious mission to one day solve all disease with the help of AI.
We are currently accepting expressions of interest from experienced:
- Software Engineers
- ML Research Scientists
- ML Research Engineers
- ML Engineers
- Computational Chemists
- Technical Project/Program Managers
- Or general applications.
Please note:
If you have previously registered your details we will be in touch if/when something suitable opens up - you do not need to reapply.
We are receiving huge levels of interest so our response may not be immediate, however, if a relevant role opens up, we'll be sure to reach out and connect.
Thank you for your interest in Iso Labs!
Culture and values
We are guided by our shared values. It's not about finding people who think and act in the same way. These values help to guide our work and will continue to strengthen it.
Thoughtful
Thoughtful at Iso is about curiosity, creativity and care. It is about good people doing good, rigorous and future-making science every single day.
Brave
Brave at Iso is about fearlessness, but it’s also about initiative and integrity. The scale of the challenge demands nothing less.
Determined
Determined at Iso is the way we pursue our goal. It’s a confidence in our hypothesis, as well as the urgency and agility needed to deliver on it. Because disease won’t wait, so neither should we.
Together
Together at Iso is about connection, collaboration across fields and catalytic relationships. It’s knowing that transformation is a group project, and remembering that what we’re doing will have a real impact on real people everywhere.
Creating an extraordinary company
We believe that to be successful we need a team with a range of skills and talents. We're building an environment where collaboration is fundamental, learning is shared and every employee feels supported and able to thrive. We value unique experiences, knowledge, backgrounds, and perspectives, and harness these qualities to create extraordinary impact.
We are committed to equal employment opportunities regardless of sex, race, religion or belief, ethnic or national origin, disability, age, citizenship, marital, domestic or civil partnership status, sexual orientation, gender identity, pregnancy or related condition (including breastfeeding) or any other basis protected by applicable law. If you have a disability or additional need that requires accommodation, please do not hesitate to let us know.
Hybrid working
It’s hugely important for us to share knowledge and build strong relationships with each other, and we find it easier to do this if we spend time together in person. This is why we follow a hybrid model, and would require you to be able to come into the office 3 days a week (currently Tuesday, Wednesday, and one other day depending on which team you’re in). If you have additional needs that would prevent you from following this hybrid approach, we’d be happy to talk through these if you’re selected for an initial screening call.
Please note that when you submit an application, your data will be processed in line with our privacy policy.
Ready to apply?
Apply to Isomorphic Labs
Senior AI Engineer / Technical Consultant
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Who is Artefact?
Artefact is a next-generation strategy and data consulting firm dedicated to transforming organizations through data and AI. We combine the rigor of top-tier strategy consulting with deep expertise in data, digital, and analytics to help clients achieve tangible business impact.
With 1,800+ consultants, data scientists, and engineers across 23 countries, we work with global leaders such as Samsung, L’Oréal, Orange, and Sanofi. Our Romandie office (Geneva/Lausanne) is at the heart of Artefact’s growth, advising clients on their most pressing strategic challenges — from AI strategy and governance to digital transformation roadmaps and new business model design.
Main Responsibilities
As a Senior AI & Data Engineer, you will be the architect of the "AI Factory." Your role is less about training models from scratch and more about building the industrial-grade pipelines, infrastructure, and security frameworks required to run AI in a highly regulated environment.
-
Production-Grade AI Infrastructure: Design and implement robust MLOps and LLMOps pipelines specifically for banking environments, focusing on data residency, air-gapping possibilities, and high availability.
-
Data Engineering for AI: Build scalable ETL/ELT pipelines to feed RAG (Retrieval-Augmented Generation) systems, ensuring data lineage, quality, and strict access control (RBAC).
-
DevOps & Automation: Own the CI/CD lifecycle for AI assets. Automate the deployment of model APIs, vector databases, and monitoring stacks using Infrastructure as Code (IaC).
-
Hybrid Cloud & On-Prem: Navigate complex hybrid-cloud architectures (Azure/AWS/GCP vs. Private Cloud) common in Swiss banking.
-
Technical Advisory: Act as a bridge between IT Infrastructure, Risk/Compliance, and Business units to translate AI potential into stable, governed reality.
Candidate Profile
Engineer first, consultant second — with a builder’s mindset and a track record of shipping.
- Experience: 4+ years in Data Engineering, DevOps, or Software Engineering, with at least 2 years focused on deploying Machine Learning or AI systems at scale.
-
The "DevOps" Stack: Expert knowledge of Docker, Kubernetes (K8s), and CI/CD tools (GitHub Actions, GitLab CI, or Jenkins). Experience with Terraform or Pulumi is a strong plus.
-
The "Data" Stack: Advanced SQL and Python. Deep experience with data orchestration (Airflow, Dagster), streaming (Kafka), and modern data warehouses (Snowflake, Databricks).
-
AI/LLM Implementation: Hands-on experience with the "plumbing" of AI: Vector databases (Milvus, Qdrant, or pgvector), model serving (BentoML, vLLM), and RAG orchestration (LangChain/LlamaIndex).
-
Banking Domain: Solid understanding of financial data structures and the regulatory landscape (Model Risk Management, Audit trails, Data anonymization).
-
Languages: English is mandatory. German (B2 or higher) is a significant advantage for the Zurich market and stakeholder management.
-
Education: Master’s degree in Computer Science, Software Engineering, or a related quantitative field.
Nice to have
-
Experience with responsible AI/governance frameworks, security reviews, and cost optimization.
-
Domain experience in finance.
-
Contributions to open-source, publications, or conference talks.
Why Join Us
-
Strategy with a Data Edge: Operate at the intersection of boardroom strategy and cutting-edge AI engineering.
-
Zurich Office Impact: High visibility from day one; help shape our Swiss footprint and work directly with senior leadership.
-
Learning & Growth: Advanced training across strategy, AI/ML/LLM, and cloud; international missions and communities of practice.
-
Culture of Doers: Innovation, action, collaboration. We move fast, deliver impact, and support each other’s growth.
Location: Zurich
If you don’t meet 100% of the criteria, we still want to hear from you. Passion, curiosity, and impact orientation matter — tell us about yours.
Ready to apply?
Apply to LinkedIn Job WrappingSenior AI Engineer / Technical Consultant
Share this job
Who is Artefact?
Artefact is a next-generation strategy and data consulting firm dedicated to transforming organizations through data and AI. We combine the rigor of top-tier strategy consulting with deep expertise in data, digital, and analytics to help clients achieve tangible business impact.
With 1,800+ consultants, data scientists, and engineers across 23 countries, we work with global leaders such as Samsung, L’Oréal, Orange, and Sanofi. Our Romandie office (Geneva/Lausanne) is at the heart of Artefact’s growth, advising clients on their most pressing strategic challenges — from AI strategy and governance to digital transformation roadmaps and new business model design.
Main Responsibilities
As a Senior AI & Data Engineer, you will be the architect of the "AI Factory." Your role is less about training models from scratch and more about building the industrial-grade pipelines, infrastructure, and security frameworks required to run AI in a highly regulated environment.
-
Production-Grade AI Infrastructure: Design and implement robust MLOps and LLMOps pipelines specifically for banking environments, focusing on data residency, air-gapping possibilities, and high availability.
-
Data Engineering for AI: Build scalable ETL/ELT pipelines to feed RAG (Retrieval-Augmented Generation) systems, ensuring data lineage, quality, and strict access control (RBAC).
-
DevOps & Automation: Own the CI/CD lifecycle for AI assets. Automate the deployment of model APIs, vector databases, and monitoring stacks using Infrastructure as Code (IaC).
-
Hybrid Cloud & On-Prem: Navigate complex hybrid-cloud architectures (Azure/AWS/GCP vs. Private Cloud) common in Swiss banking.
-
Technical Advisory: Act as a bridge between IT Infrastructure, Risk/Compliance, and Business units to translate AI potential into stable, governed reality.
Candidate Profile
Engineer first, consultant second — with a builder’s mindset and a track record of shipping.
- Experience: 4+ years in Data Engineering, DevOps, or Software Engineering, with at least 2 years focused on deploying Machine Learning or AI systems at scale.
-
The "DevOps" Stack: Expert knowledge of Docker, Kubernetes (K8s), and CI/CD tools (GitHub Actions, GitLab CI, or Jenkins). Experience with Terraform or Pulumi is a strong plus.
-
The "Data" Stack: Advanced SQL and Python. Deep experience with data orchestration (Airflow, Dagster), streaming (Kafka), and modern data warehouses (Snowflake, Databricks).
-
AI/LLM Implementation: Hands-on experience with the "plumbing" of AI: Vector databases (Milvus, Qdrant, or pgvector), model serving (BentoML, vLLM), and RAG orchestration (LangChain/LlamaIndex).
-
Banking Domain: Solid understanding of financial data structures and the regulatory landscape (Model Risk Management, Audit trails, Data anonymization).
-
Languages: English is mandatory. German (B2 or higher) is a significant advantage for the Zurich market and stakeholder management.
-
Education: Master’s degree in Computer Science, Software Engineering, or a related quantitative field.
Nice to have
-
Experience with responsible AI/governance frameworks, security reviews, and cost optimization.
-
Domain experience in finance.
-
Contributions to open-source, publications, or conference talks.
Why Join Us
-
Strategy with a Data Edge: Operate at the intersection of boardroom strategy and cutting-edge AI engineering.
-
Zurich Office Impact: High visibility from day one; help shape our Swiss footprint and work directly with senior leadership.
-
Learning & Growth: Advanced training across strategy, AI/ML/LLM, and cloud; international missions and communities of practice.
-
Culture of Doers: Innovation, action, collaboration. We move fast, deliver impact, and support each other’s growth.
Location: Zurich
If you don’t meet 100% of the criteria, we still want to hear from you. Passion, curiosity, and impact orientation matter — tell us about yours.
Ready to apply?
Apply to Welcome to the Jungle
Team / Research Leader, Computational Drug Design, London, Lausanne
Share this job
Isomorphic Labs is applying frontier AI to help unlock deeper scientific insights, faster breakthroughs, and life-changing medicines with an ambition to solve all disease.
The future is coming. A future enabled and enriched by the incredible power of machine learning. A future in which diseases are curtailed or cured starting with better and faster drug discovery.
Come and be part of an interdisciplinary team driving groundbreaking innovation and play a meaningful role in contributing towards us achieving our ambitious goals, while being a part of an inspiring and collaborative culture.
The world we want tomorrow is the one we’re building today. It starts with the culture at this company. It starts with you.
About Iso
Isomorphic Labs (IsoLabs) was launched in 2021 to advance human health by building on and beyond the Nobel-winning AlphaFold system. Since then, our interdisciplinary team of drug discovery experts and machine learning specialists has built powerful new predictive and generative AI models that accelerate scientific discovery at digital speed.
Our name comes from the belief that there is an underlying symmetry between biology and information science. By harnessing AI’s powerful capabilities, we can use it to model complex biological phenomena to help design novel molecules, anticipate how drugs will perform and develop innovative medicines to treat and cure some of the world’s most devastating diseases.
We have built a world-leading drug design engine comprising AI models that are capable of working across multiple therapeutic areas and drug modalities. We are continually innovating on model architecture and developing cutting-edge capabilities to advance rational drug design.
Every day, and with each new breakthrough, we’re getting closer to the promise of digital biology, and achieving our ambitious mission to one day solve all disease with the help of AI.
Your Impact
We are seeking a Team / Research Leader specialising in computational chemistry to spearhead the design of novel small molecule therapeutics. This role requires a unique blend of deep scientific expertise and the ability to lead both technical projects and high-performing teams, whilst contributing to or leading active drug discovery programs.
As a pivotal member of the Drug Design team, you will drive complex projects from early discovery through to candidate selection. You will leverage your expertise in strategic leadership and management of multi-program pipelines to deliver life-changing medicines using our cutting-edge AI drug design engine.
What You Will Do
- Strategic Direction: Define the core scientific and technical direction of our small molecule therapeutic programs, ensuring alignment with company goals.
- Program Leadership: Champion the drug discovery pipeline, overseeing external collaborations (with CROs) and leading programs to meet critical go/no-go milestones.
- Innovation & Integration: Establish principles for embedding cutting-edge AI/ML into modern computational chemistry workflows, ensuring seamless integration across ML, Biology, and Chemistry teams.
- Talent Development: Foster a culture of scientific excellence by proactively mentoring, guiding, and evaluating the career development of team members.
- Technical Execution: Apply AI-first approaches to provide technical and strategic directions, and execute drug design programs.
Skills and Qualifications
Essential:
- PhD in Computational Chemistry, Medicinal Chemistry, Synthetic Chemistry, or a related scientific field.
- 8+ years’ professional experience in either a pharma, biotech or CRO environment working at all stages of the drug discovery process, from hit finding to lead optimisation and candidate selection.
- Proven experience leading computational chemistry strategy and execution for multiple drug discovery programs and target classes, and managing high-performing scientific teams.
- Strong expertise in virtual screening, ligand and structure-based drug design using physics-based and ideally AI/ML methods.
- Proven track record of developing QSAR models using ML or deep learning methods.
- Expertise in writing and implementing Python scripts for analysis and tool development, and/or utilising pipelining tools to support cheminformatics and design workflows.
- Strong knowledge of medicinal chemistry principles including ADMET and DMPK.
- Genuine passion and enthusiasm for applying AI/ML to drug design and how this can transform the field.
- Demonstrated success managing external collaborations (industry/CROs) and working effectively in cross-functional environments.
- Growth mindset, adaptability, and eagerness to learn new concepts and techniques.
Nice to Have:
- Prior experience leveraging machine learning and generative AI methods for hit finding (e.g. ultra-large virtual screening and active learning), molecular design and lead optimisation (e.g. REINVENT, cofolding and AI-powered ligand/pose scoring methods).
- Prior experience of leading drug discovery programs.
- Track record of authorship of relevant scientific manuscripts.
- Knowledge of modalities such as PROTACs, molecular glues, PPI inhibitors or ADCs.
Culture and values
We are guided by our shared values. It's not about finding people who think and act in the same way. These values help to guide our work and will continue to strengthen it.
Thoughtful
Thoughtful at Iso is about curiosity, creativity and care. It is about good people doing good, rigorous and future-making science every single day.
Brave
Brave at Iso is about fearlessness, but it’s also about initiative and integrity. The scale of the challenge demands nothing less.
Determined
Determined at Iso is the way we pursue our goal. It’s a confidence in our hypothesis, as well as the urgency and agility needed to deliver on it. Because disease won’t wait, so neither should we.
Together
Together at Iso is about connection, collaboration across fields and catalytic relationships. It’s knowing that transformation is a group project, and remembering that what we’re doing will have a real impact on real people everywhere.
Creating an extraordinary company
We believe that to be successful we need a team with a range of skills and talents. We're building an environment where collaboration is fundamental, learning is shared and every employee feels supported and able to thrive. We value unique experiences, knowledge, backgrounds, and perspectives, and harness these qualities to create extraordinary impact.
We are committed to equal employment opportunities regardless of sex, race, religion or belief, ethnic or national origin, disability, age, citizenship, marital, domestic or civil partnership status, sexual orientation, gender identity, pregnancy or related condition (including breastfeeding) or any other basis protected by applicable law. If you have a disability or additional need that requires accommodation, please do not hesitate to let us know.
Hybrid working
It’s hugely important for us to share knowledge and build strong relationships with each other, and we find it easier to do this if we spend time together in person. This is why we follow a hybrid model, and would require you to be able to come into the office 3 days a week (currently Tuesday, Wednesday, and one other day depending on which team you’re in). If you have additional needs that would prevent you from following this hybrid approach, we’d be happy to talk through these if you’re selected for an initial screening call.
Please note that when you submit an application, your data will be processed in line with our privacy policy.
Ready to apply?
Apply to Isomorphic Labs
Research Scientist (Machine Learning), London
Share this job
Isomorphic Labs is applying frontier AI to help unlock deeper scientific insights, faster breakthroughs, and life-changing medicines with an ambition to solve all disease.
The future is coming. A future enabled and enriched by the incredible power of machine learning. A future in which diseases are curtailed or cured starting with better and faster drug discovery.
Come and be part of an interdisciplinary team driving groundbreaking innovation and play a meaningful role in contributing towards us achieving our ambitious goals, while being a part of an inspiring and collaborative culture.
The world we want tomorrow is the one we’re building today. It starts with the culture at this company. It starts with you.
About Iso
Isomorphic Labs (IsoLabs) was launched in 2021 to advance human health by building on and beyond the Nobel-winning AlphaFold system. Since then, our interdisciplinary team of drug discovery experts and machine learning specialists has built powerful new predictive and generative AI models that accelerate scientific discovery at digital speed.
Our name comes from the belief that there is an underlying symmetry between biology and information science. By harnessing AI’s powerful capabilities, we can use it to model complex biological phenomena to help design novel molecules, anticipate how drugs will perform and develop innovative medicines to treat and cure some of the world’s most devastating diseases.
We have built a world-leading drug design engine comprising AI models that are capable of working across multiple therapeutic areas and drug modalities. We are continually innovating on model architecture and developing cutting-edge capabilities to advance rational drug design.
Every day, and with each new breakthrough, we’re getting closer to the promise of digital biology, and achieving our ambitious mission to one day solve all disease with the help of AI.
Research Scientist (Machine Learning), London
Your impact
As a Research Scientist in machine learning (ML), you will play an exciting role in building greenfield machine learning based models and algorithms that will power our platform to transform the drug discovery world as we know it.
Working in a highly creative, fast-paced and interdisciplinary environment, you will be partnering with leading engineers and scientists to conceive, design, and develop cutting edge machine learning algorithms to unlock new modelling and predictive power which will be critical to the organisation’s success. You will draw upon your existing deep research experience whilst learning from those around you, to apply novel techniques and ideas to newly encountered computational biology and chemistry problems.
Depending on your experience:
You will create and lead projects, bringing together a variety of disciplined scientists and engineers to pursue some of the most ambitious modelling problems with deep learning - as well as providing technical mentorship and people management for others in the ML community at Isomorphic Labs
You will be instrumental in leading greenfield machine learning based research projects, building the models, and algorithms that will power our platform to transform the drug discovery world as we know it.
What you will do
- Contribute to our research directions in machine learning by using your extensive knowledge of the field to apply world-leading ML algorithms to drug discovery.
- Identify and create novel ML techniques and the required data to train.
- Develop the architectures and training algorithms of machine learning models.
- Analyse and tune experimental results to inform future experimental directions.
- Implement and scale training and inference engineering frameworks.
- Report and present research findings and developments clearly and efficiently, to both other ML scientists and scientists of different disciplines.
- Iterate collaboratively with scientists and domain experts, sharing your own domain experience.
- Suggest and engage in team collaborations to meet ambitious research goals.
Depending on your experience: - Provide technical mentorship and guidance to the ML research community, advising on projects, and shaping our research roadmap based on your deep technical expertise.
- Provide developmental support to other ML research scientists.
- Create, lead, and run ML research projects, fostering collaborative and diverse teams to solve high priority modelling problems.Cultivate a diverse and inclusive research culture.
Skills and qualifications
Essential
- PhD or equivalent practical experience in a technical field.
- A proven track record in machine learning using deep learning techniques, including designing new architectures, hands-on experimentation, analysis, and visualisation.
- Strong knowledge of linear algebra, calculus and statistics.
- Experience using ML frameworks such as JAX, PyTorch, or TensorFlow, and scientific software such as NumPy, SciPy, or Pandas.
- A passion for applying ML research to real world problems.
- Depending on your experience: project supervision, leadership, or management.
Nice to have
- PhD in machine learning or computer science.
- Relevant research experience to the position such as post doctoral roles, a proven track record of publications, or contributions to machine learning codebases.
- Experience working in a scientific environment across disciplines (particularly biology, chemistry, physics).
- Experience working with biological or chemical data and biological or chemistry software.
- Experience working with real-world datasets.
- Experience with ML on accelerators.
- Experience in any of: large scale deep learning, generative models, graph neural networks, deep learning for drug discovery, deep learning for computer vision, 3D graphics/robotics, real-world applied RL.
Culture and values
We are guided by our shared values. It's not about finding people who think and act in the same way. These values help to guide our work and will continue to strengthen it.
Thoughtful
Thoughtful at Iso is about curiosity, creativity and care. It is about good people doing good, rigorous and future-making science every single day.
Brave
Brave at Iso is about fearlessness, but it’s also about initiative and integrity. The scale of the challenge demands nothing less.
Determined
Determined at Iso is the way we pursue our goal. It’s a confidence in our hypothesis, as well as the urgency and agility needed to deliver on it. Because disease won’t wait, so neither should we.
Together
Together at Iso is about connection, collaboration across fields and catalytic relationships. It’s knowing that transformation is a group project, and remembering that what we’re doing will have a real impact on real people everywhere.
Creating an extraordinary company
We believe that to be successful we need a team with a range of skills and talents. We're building an environment where collaboration is fundamental, learning is shared and every employee feels supported and able to thrive. We value unique experiences, knowledge, backgrounds, and perspectives, and harness these qualities to create extraordinary impact.
We are committed to equal employment opportunities regardless of sex, race, religion or belief, ethnic or national origin, disability, age, citizenship, marital, domestic or civil partnership status, sexual orientation, gender identity, pregnancy or related condition (including breastfeeding) or any other basis protected by applicable law. If you have a disability or additional need that requires accommodation, please do not hesitate to let us know.
Hybrid working
It’s hugely important for us to share knowledge and build strong relationships with each other, and we find it easier to do this if we spend time together in person. This is why we follow a hybrid model, and would require you to be able to come into the office 3 days a week (currently Tuesday, Wednesday, and one other day depending on which team you’re in). If you have additional needs that would prevent you from following this hybrid approach, we’d be happy to talk through these if you’re selected for an initial screening call.
Please note that when you submit an application, your data will be processed in line with our privacy policy.
Ready to apply?
Apply to Isomorphic Labs
Research Scientist (Machine Learning), Lausanne
Share this job
Isomorphic Labs is applying frontier AI to help unlock deeper scientific insights, faster breakthroughs, and life-changing medicines with an ambition to solve all disease.
The future is coming. A future enabled and enriched by the incredible power of machine learning. A future in which diseases are curtailed or cured starting with better and faster drug discovery.
Come and be part of an interdisciplinary team driving groundbreaking innovation and play a meaningful role in contributing towards us achieving our ambitious goals, while being a part of an inspiring and collaborative culture.
The world we want tomorrow is the one we’re building today. It starts with the culture at this company. It starts with you.
About Iso
Isomorphic Labs (IsoLabs) was launched in 2021 to advance human health by building on and beyond the Nobel-winning AlphaFold system. Since then, our interdisciplinary team of drug discovery experts and machine learning specialists has built powerful new predictive and generative AI models that accelerate scientific discovery at digital speed.
Our name comes from the belief that there is an underlying symmetry between biology and information science. By harnessing AI’s powerful capabilities, we can use it to model complex biological phenomena to help design novel molecules, anticipate how drugs will perform and develop innovative medicines to treat and cure some of the world’s most devastating diseases.
We have built a world-leading drug design engine comprising AI models that are capable of working across multiple therapeutic areas and drug modalities. We are continually innovating on model architecture and developing cutting-edge capabilities to advance rational drug design.
Every day, and with each new breakthrough, we’re getting closer to the promise of digital biology, and achieving our ambitious mission to one day solve all disease with the help of AI.
Research Scientist (Machine Learning), Lausanne
Your impact
As a Research Scientist in machine learning (ML), you will play an exciting role in building greenfield machine learning based models and algorithms that will power our platform to transform the drug discovery world as we know it.
Working in a highly creative, fast-paced and interdisciplinary environment, you will be partnering with leading engineers and scientists to conceive, design, and develop cutting edge machine learning algorithms to unlock new modelling and predictive power which will be critical to the organisation’s success. You will draw upon your existing deep research experience whilst learning from those around you, to apply novel techniques and ideas to newly encountered computational biology and chemistry problems.
Depending on your experience:
You will create and lead projects, bringing together a variety of disciplined scientists and engineers to pursue some of the most ambitious modelling problems with deep learning - as well as providing technical mentorship and people management for others in the ML community at Isomorphic Labs
You will be instrumental in leading greenfield machine learning based research projects, building the models, and algorithms that will power our platform to transform the drug discovery world as we know it.
What you will do
- Contribute to our research directions in machine learning by using your extensive knowledge of the field to apply world-leading ML algorithms to drug discovery.
- Identify and create novel ML techniques and the required data to train.
- Develop the architectures and training algorithms of machine learning models.
- Analyse and tune experimental results to inform future experimental directions.
- Implement and scale training and inference engineering frameworks.
- Report and present research findings and developments clearly and efficiently, to both other ML scientists and scientists of different disciplines.
- Iterate collaboratively with scientists and domain experts, sharing your own domain experience.
- Suggest and engage in team collaborations to meet ambitious research goals.
Depending on your experience: - Provide technical mentorship and guidance to the ML research community, advising on projects, and shaping our research roadmap based on your deep technical expertise.
- Provide developmental support to other ML research scientists.
- Create, lead, and run ML research projects, fostering collaborative and diverse teams to solve high priority modelling problems.Cultivate a diverse and inclusive research culture.
Skills and qualifications
Essential
- PhD or equivalent practical experience in a technical field.
- A proven track record in machine learning using deep learning techniques, including designing new architectures, hands-on experimentation, analysis, and visualisation.
- Strong knowledge of linear algebra, calculus and statistics.
- Experience using ML frameworks such as JAX, PyTorch, or TensorFlow, and scientific software such as NumPy, SciPy, or Pandas.
- A passion for applying ML research to real world problems.
- Depending on your experience: project supervision, leadership, or management.
Nice to have
- PhD in machine learning or computer science.
- Relevant research experience to the position such as post doctoral roles, a proven track record of publications, or contributions to machine learning codebases.
- Experience working in a scientific environment across disciplines (particularly biology, chemistry, physics).
- Experience working with biological or chemical data and biological or chemistry software.
- Experience working with real-world datasets.
- Experience with ML on accelerators.
- Experience in any of: large scale deep learning, generative models, graph neural networks, deep learning for drug discovery, deep learning for computer vision, 3D graphics/robotics, real-world applied RL.
Culture and values
We are guided by our shared values. It's not about finding people who think and act in the same way. These values help to guide our work and will continue to strengthen it.
Thoughtful
Thoughtful at Iso is about curiosity, creativity and care. It is about good people doing good, rigorous and future-making science every single day.
Brave
Brave at Iso is about fearlessness, but it’s also about initiative and integrity. The scale of the challenge demands nothing less.
Determined
Determined at Iso is the way we pursue our goal. It’s a confidence in our hypothesis, as well as the urgency and agility needed to deliver on it. Because disease won’t wait, so neither should we.
Together
Together at Iso is about connection, collaboration across fields and catalytic relationships. It’s knowing that transformation is a group project, and remembering that what we’re doing will have a real impact on real people everywhere.
Creating an extraordinary company
We believe that to be successful we need a team with a range of skills and talents. We're building an environment where collaboration is fundamental, learning is shared and every employee feels supported and able to thrive. We value unique experiences, knowledge, backgrounds, and perspectives, and harness these qualities to create extraordinary impact.
We are committed to equal employment opportunities regardless of sex, race, religion or belief, ethnic or national origin, disability, age, citizenship, marital, domestic or civil partnership status, sexual orientation, gender identity, pregnancy or related condition (including breastfeeding) or any other basis protected by applicable law. If you have a disability or additional need that requires accommodation, please do not hesitate to let us know.
Hybrid working
It’s hugely important for us to share knowledge and build strong relationships with each other, and we find it easier to do this if we spend time together in person. This is why we follow a hybrid model, and would require you to be able to come into the office 3 days a week (currently Tuesday, Wednesday, and one other day depending on which team you’re in). If you have additional needs that would prevent you from following this hybrid approach, we’d be happy to talk through these if you’re selected for an initial screening call.
Please note that when you submit an application, your data will be processed in line with our privacy policy.
Ready to apply?
Apply to Isomorphic Labs
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