Job Description

Main Responsibilities

We are seeking a highly skilled AI scientist to join our team and drive innovation in AI-powered drug evaluation and development. This role focuses on building and optimizing advanced AI systems for drug evaluation and development. The ideal candidate will combine deep technical expertise with domain knowledge in pharmaceutical R&D, enabling rapid iteration and deployment of cutting-edge solutions.

Qualifications

• PhD or Master with equivalent practical experience in Computational Chemistry, Computational Biology, Computer Science, AI, Machine Learning, or a related technical field.
• Experience in AI-based small‑molecule and/or peptide drug evaluation and development is required.
• Experience in disease biology and target research is highly desired, especially the ability to connect target biology with chemical design strategies.
• Experience in drug discovery and development is highly desired.
• Deep understanding and experience of graph neural networks, generative models and other deep learning models for drug R&D AI applications, including structure prediction, target-ligand binding prediction, ADMET prediction, etc.
• Hands-on experience with ML frameworks such as PyTorch, TensorFlow, JAX, and scientific software such as NumPy, SciPy, or Pandas.
• Iterate collaboratively with scientists and domain experts in biology and chemistry. Experience of integrating scientific insights and data into AI models.
• Ability to learn quickly in a fast-paced environment.
• Excellent communication skills for cross-disciplinary collaboration.

Required Skills:

Academic Conferences, Academic Conferences, Analytical Biochemistry, Bioanalytical Analysis, Bioanalytical Techniques, Biochemical Assays, Biology, Biomarker Development, Chemistry, Clinical Judgment, Computational Biology, Computational Sciences, Creativity, Detail-Oriented, Drug Design, Drug Development, Drug Discovery Research, Drug Formulations, Drug Research, Ethical Compliance, Immunohistochemistry (IHC), In Vivo Pharmacology, Laboratory Instrumentation, Laboratory Protocols, Laboratory Techniques {+ 10 more}

Preferred Skills:

Current Employees apply HERE

Current Contingent Workers apply HERE

Search Firm Representatives Please Read Carefully 
Merck & Co., Inc., Rahway, NJ, USA, also known as Merck Sharp & Dohme LLC, Rahway, NJ, USA, does not accept unsolicited assistance from search firms for employment opportunities. All CVs / resumes submitted by search firms to any employee at our company without a valid written search agreement in place for this position will be deemed the sole property of our company.  No fee will be paid in the event a candidate is hired by our company as a result of an agency referral where no pre-existing agreement is in place. Where agency agreements are in place, introductions are position specific. Please, no phone calls or emails. 

Employee Status:

Regular

Relocation:

No relocation

VISA Sponsorship:

No

Travel Requirements:

No Travel Required

Flexible Work Arrangements:

Not Applicable

Shift:

Not Indicated

Valid Driving License:

No

Hazardous Material(s):

no

Job Posting End Date:

12/31/2026

*A job posting is effective until 11:59:59PM on the day BEFORE the listed job posting end date. Please ensure you apply to a job posting no later than the day BEFORE the job posting end date.