Isomorphic Labs
Pick a job to read the details
Tap any role on the left — its description and apply link will open here.
Head of Translational Sciences, Drug Design, Cambridge, MA
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.
About the Translational Sciences Team
We are building a dynamic drug discovery team in Boston, as part of Isomorphic Labs’ approach to transform how drugs are designed. Translational Sciences is an essential component of this effort, establishing and evolving our biological understanding of how to correct dysregulated systems in disease. This team will have impact across the full breadth of our portfolio, from critical input on target selection to essential partnership on biomarker development, to enable pharmacodynamic modulation and target engagement in the clinic. Domain expertise will be critical to design translational strategies for programs, evolving our understanding of mechanisms and modes of action as programs progress. This team will be highly collaborative and need to establish strong scientific relationships with multiple groups in the company, from Medicinal Chemists to Applied Machine Learning Scientists, creating a powerful symbiotic relationship that drives our internal and collaborative portfolios.
What you will do
- Lead the preclinical Translational Science strategy in close collaboration with the Computational Biology, Preclinical Development and Translational Medicine teams, ensuring lifecycle-spanning screening cascades and biomarker assays are in place to guide programs toward clinical success.
- Ensure scientific rigor and "decision-quality" data across all local programs.
- Partner with the VP, Head of Drug Discovery, Cambridge, MA to recruit and retain a world-class team of scientists.
- Maintain a seamless collaborative loop with the Head of Translational Sciences, London to ensure resource sharing, protocol alignment, and unified scientific standards.
- Direct all in vitro and in vivo biology operations in Cambridge, MA through a network of CROs to generate, ingest and interpret high quality experimental data efficiently to support all aspects of our drug design programs from HitID through to IND.
- Foster a site culture of high accountability, rapid iteration, and scientific curiosity.
- Serve as a key internal consultant and advisor for global target discovery, providing critical technical assessment, feasibility analysis, and translational "stress testing" for new targets under consideration.
- Collaboratively execute program progression and determine resource allocation.
- Facilitate the transfer best practices and know-how between the UK and US sites to maximize R&D efficiency.
- Manage relationships with CROs and academic collaborators to extend the site’s internal capabilities.
Skills and qualifications
Essential:
- PhD in relevant Biological Sciences.
- Solid foundation in Translational Sciences with a minimum of 10+ years previous industrial experience within a pharma/biotech/CRO setting, with a clear trajectory of increasing responsibility.
- Proven track record of successfully navigating the discovery to IND transition, demonstrating mastery of molecular mechanisms.
- Track record of delivering multiple programs by formulating and implementing fit for purpose biological strategies to progress from hit ID through to IND as a program biology lead.
- Demonstrated experience in line management, mentorship, and developing scientific talent.
- Excellent strategic thinking, problem-solving, and decision-making capabilities applied to complex drug discovery challenges.
- Ability to work with computational biologists to define and implement patient and biomarker selection strategies
- Experience of working with and closely managing CRO resource.
- Strong track record of scientific achievement, evidenced by publications, patents, and presentations.
- Genuine passion for drug discovery and enthusiasm for the potential of AI/ML to transform the field.
Nice to have:
- Experience working in an AI/ML led drug discovery environment.
- Experience of working with product /data scientist to build or configure data analysis systems for diverse program datasets but specifically for pharmacological data.
- Experience of diverse chemical modalities e.g. molecular glues.
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
Head of Computational Drug Design, Cambridge, MA
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.
About the Computational Drug Design Team
We are building a dynamic team of Computational Chemists in Cambridge, MA within the Drug Design and Medical Research function. We drive the computational chemistry strategy for our internal portfolio and collaboration projects. Crucially, we partner closely with our AI/ML colleagues, using our domain expertise to augment the Isomorphic Labs Drug Design Engine and leverage its power to accelerate drug design. We foster a supportive, learning-focused environment where every member is valued, and continuous professional development is a priority.
Your Impact
As part of our expansion to Cambridge, MA, we are seeking an experienced and strategic Head of Computational Drug Design to join our foundational Drug Design team. This is a pivotal role for a motivated scientific leader eager to shape the future of drug discovery at the intersection of computational chemistry and artificial intelligence. 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.
You will provide scientific leadership and strategic direction for the Computational Drug Design team, responsible for delivery and guidance of projects to clinical candidate nomination. Additionally, you will oversee and mentor a team of talented Computational Drug Designers, fostering their scientific growth and career development. Working alongside world-leading AI Scientists, you will play a critical role in establishing principles for embedding AI/ML into modern computational chemistry workflows, ensuring seamless integration across ML, Biology, and Chemistry teams. You will partner with our Head of Chemistry, Drug Design to champion the drug discovery pipeline, overseeing external collaborations (with CROs) and lead programs to deliver critical go/no-go milestones. Critical to this role will be the ability to build highly effective and efficient connectivity with Medicinal Chemistry, Biology and Pre-Clinical Development teams to accelerate pace to the clinic. If you are a skilled Computational Chemist with leadership experience and a passion for applying cutting-edge technology to complex scientific challenges, this role offers an unparalleled opportunity for impact and growth.
What you will do
- Apply your knowledge and track record of modern drug design and discovery principles to deliver our Drug Design portfolio.
- Provide direct line management for a growing team of Computational Chemists. Set clear goals, provide regular feedback, support their professional development, and foster a collaborative and high-performance team environment.
- Provide strategic input and technical direction to our AI/ML platform teams.
- Collaborate both internally and with third party organisations, interacting within multidisciplinary teams, to support data-driven delivery of high quality scientific solutions to complex technical problems.
- Represent the company externally, interacting with existing and prospective collaborators and Contract Research Organizations (CROs).
- Prepare detailed scientific proposals and reports to support new and ongoing programs.
- Embrace and champion our culture of inclusion and continuous professional development.
Skills and Qualifications
Essential:
- PhD in Computational Chemistry, Medicinal Chemistry, Synthetic Chemistry, or a related scientific field, or equivalent industrial experience.
- Solid foundation in computational chemistry with a minimum of 10+ years previous industrial experience within a pharma/biotech/CRO setting.
- Proven experience leading computational chemistry strategy and execution for multiple drug discovery programs and target classes, and managing high-performing scientific teams.
- Prior experience of leading drug discovery programs, from hit finding to lead optimisation and candidate selection.
- Strong expertise in virtual screening, ligand and structure-based drug design using physics-based and ideally AI/ML methods.
- Proven track record of developing 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.
- 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
- Strong knowledge of drug design principles, including ADMET and DMPK.
- Knowledge of modalities such as PROTACs, molecular glues, PPI inhibitors or ADCs.
- A track record of authorship of relevant scientific manuscripts.
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
Head of Chemistry, Drug Design, Cambridge, MA
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.
About the Medicinal Drug Design Team
We are building a dynamic team of Medicinal Chemists in Cambridge, MA, to transform how drugs are designed. By partnering deeply with our AI/ML colleagues, we are doing more than just leveraging the Isomorphic Labs Drug Design Engine - we are actively shaping it. We use our domain expertise to challenge and refine our algorithms, creating a powerful symbiotic relationship that drives our internal and collaborative portfolios. Our team work closely together in a supportive environment, where everyone is valued for their medicinal chemistry expertise and experience they bring to the group. We have a strong growth mindset and prioritise continued development and learning.
Your impact
As part of our expansion to Cambridge, MA, we are seeking an experienced and strategic Head of Chemistry, Drug Design to join our foundational Drug Design team. This is a pivotal role for a motivated scientific leader who is eager to shape the future of drug discovery at the intersection of medicinal chemistry and artificial intelligence. 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.
You will provide scientific leadership and strategic direction for the Medicinal Drug Design team, responsible for delivery and guidance of projects to clinical candidate nomination. Additionally, you will oversee and mentor a team of talented Medicinal Chemists, fostering their scientific growth and career development. Working alongside world-leading AI/ML Scientists, you will play a critical role in driving project success, enhancing our AI platform through expert feedback, and building a high-performing team. Critical to this role will be the ability to build highly effective and efficient connectivity with Computational Drug Design, Biology and Pre-Clinical Development teams to accelerate pace to the clinic. If you are a skilled Medicinal Chemist with leadership experience and a passion for applying cutting-edge technology to complex scientific challenges, this role offers an unparalleled opportunity for impact and growth.
What you will do
- Apply your knowledge and track record of modern drug design & discovery principles to deliver our Drug Design portfolio.
- Provide direct line management for a growing team of Medicinal Chemists. Set clear goals, provide regular feedback, support their professional development, and foster a collaborative and high-performance team environment.
- Provide strategic input and technical direction to our AI/ML platform teams.
- Collaborate both internally and with third party organisations, interacting within multidisciplinary teams, to support data-driven delivery of high quality scientific solutions to complex technical problems.
- Represent the company externally, interacting with existing and prospective collaborators and Contract Research Organizations (CROs).
- Effectively manage CRO resource and monitor KPIs to maintain delivery.
- Prepare detailed scientific proposals and reports to support new and ongoing programs.
- Embrace and champion our culture of inclusion and continuous professional development.
Skills and qualifications
Essential:
- PhD in Synthetic Organic Chemistry, Medicinal Chemistry or a related technical field, or equivalent industrial experience.
- Solid foundation in medicinal chemistry with a minimum of 10+ years previous industrial experience within a pharma/biotech/CRO setting.
- Proven track record of leading medicinal chemistry efforts on drug discovery projects, demonstrating significant contributions to project progression (ideally from Hit Identification through to Lead Optimization/Candidate Nomination, with familiarity of optimization of Drug Metabolism and Pharmacokinetics (DMPK).
- Demonstrated experience in line management, mentorship, and developing scientific talent.
- Excellent strategic thinking, problem-solving, and decision-making capabilities applied to complex drug discovery challenges.
- Strong strategic thinking, problem-solving, and decision-making capabilities applied to complex drug discovery challenges.
- Experience of working with and closely managing CRO resource.
- Strong track record of scientific achievement, evidenced by publications, patents, and presentations.
- Genuine passion for drug discovery and enthusiasm for the potential of AI/ML to transform the field.
Nice to have:
- Experience of successful application of fragment-based drug design approaches.
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