AI Drug Discovery Jobs
AI drug discovery jobs apply machine learning and generative models to target identification, molecular and protein design, lead optimization, and ADMET prediction, shortening the path from biology to candidate molecules. Demand is concentrated in platform biotechs, AI-first startups, and pharma discovery teams.
Senior Research Scientist – Target Discovery & Project Leadership
Elanco
Grad Co-op — Computational Safety Modeling for Small Molecules
Amgen
Senior Machine Learning Scientist I, Drug Discovery Analytics
Revolution Medicines
Machine Learning Scientist/Senior Machine Learning Scientist - Agents for Applied Small Molecule Drug Design, AI for Drug Discovery
Genentech
Therapeutic Area Analytics & Insights Senior Manager - NI/AD/PD
Genentech
Principal Scientist – AI-Reasoning for Drug Discovery
Johnson & Johnson
Senior Scientist - Automation and HTS – Target Discovery & Biology (TD&B)
Amgen
Associate Director, AI for Discovery — New Target Discovery
AstraZeneca
Associate Director, AI for Discovery — New Target Discovery
AstraZeneca PLC
FL114: Senior Scientist, Therapeutics Engineering
Flagship Pioneering
Director, R&D DDSAI Therapeutics Development Supply - AI Solutions
Johnson & Johnson
Intern - Research - Protein Therapeutics
Gilead
Thesis Work, 30 Credits - Advancing AI for Drug Discovery with MolecularAI at AstraZeneca
AstraZeneca
Therapeutic Area Analytics & Insights Manager - Solid Tumor
Genentech
Senior AI/ML Scientist – Drug Discovery & R&D Operations
Elanco
ViiV Healthcare (GSK) Scientific Leader, Pre-clinical DMPK Drug Discovery Modeling
GSK
Software Development Engineer/Senior Software Development Engineer, Agentic Systems, AI for Drug Discovery
Genentech
Machine Learning Engineer, Infra, AI for Drug Discovery
Genentech
Machine Learning Engineer/Senior Machine Learning Engineer - Devops, AI for Drug Discovery
Genentech
Biotherapeutics Discovery Co-op
Beam Therapeutics
Open-rank Faculty position, Department of Pharmacy and Pharmaceutical Sciences - Therapeutic Sciences and Pharmacogenomics
St. Jude
Senior Director, RWE Lead in Inflammation Therapeutic Areas
Gilead
Agentic AI Lead – Disease Biology & Target Discovery
Amgen
Machine Learning Scientist, Scientific Reasoning Models, AI for Drug Discovery
Genentech
Senior / Principal Machine Learning Scientist, Scientific Reasoning Models, AI for Drug Discovery
Genentech
Principal Machine Learning Scientist, Frontier Research, AI for Drug Discovery (AIDD)
Genentech
Principal Machine Learning Engineer, Foundation Models, AI for Drug Discovery
Genentech
Intern – Research – Protein Therapeutics, Computational Biologics Engineering
Gilead
Associate Director, Computational Sciences — Biotherapeutics Portfolio Group Lead
Bristol Myers Squibb
Senior / Principal Scientist, Structural Biology — Target Druggability & Structure-Based Drug Design
Schrödinger
Scientist II / Senior ML Scientist, Data-Efficient Learning for Drug Discovery
Lila Sciences
Senior/Principal Scientist, Small Molecule Therapeutics
Lila Sciences
Senior Principal Scientist, Agentic Systems Development for Drug Discovery
Vertex Pharmaceuticals
Senior Scientist (Small Molecule, Synthetics)
Amgen
Computational Chemistry Principal Research Scientist (Computational Drug Design)
Vertex Pharmaceuticals
Senior Principal Scientist, Applied AI & Agentic Systems for Small-Molecule Drug Discovery
Vertex Pharmaceuticals
Research Leader / Senior Scientist (Computational Drug Design), Cambridge, MA
Isomorphic Labs
Senior Director, Computational Drug Discovery (DK/US)
Zealand Pharma
Sr. Scientist I/Sr. Scientist II, Applied AI & Agentic Systems for Drug Discovery
Antares Therapeutics
Head of Peptide Drug Discovery
Calico
Senior Machine Learning Scientist, Protein ML, AI for Drug Discovery (AIDD)
Genentech
Small Molecule Computational Scientist
Boltz
AI Accelerator for Drug Discovery - Talent Pool
Boehringer Ingelheim
Research Leader / Senior Scientist (Medicinal Drug Design), Cambridge, MA
Isomorphic Labs
Sr. Scientist, Therapeutics & Translational Bioinformatics
Moderna
Principal Scientist, Portfolio & gRED Interface-Biologics, AI for Drug Discovery (AIDD)
Genentech
Senior Scientist, Antibody Developability/Biophysics & Portfolio Support, AI for Drug Discovery (AIDD)
Genentech
Senior Principal Scientist, Peptide Therapeutics
Genentech
Therapeutic Area Analytics & Insights Senior Manager - Cardiovascular, Renal, & Metabolism (CVRM)
Genentech
Principal Scientist – Chemical Biology & Proximity-Based Therapeutics
Amgen
VP, Head of Drug Discovery
Relay Therapeutics
Principal Scientist, Translational PK/PD Modeling
Regeneron Pharmaceuticals
Associate Director, Translational PK/PD Modeling
Regeneron Pharmaceuticals
Associate Director, Quantitative Pharmacology & Pharmacometrics - Mechanistic Modeling, Immunology
Merck (MSD)
Statistical Science Director V&I
AstraZeneca
Advisor - Scientific Machine Learning & Agentic Workflows Engineer
Eli Lilly
Associate Director, AI/ML Engineering
Merck (MSD)
CD&A Data Scientist, Obesity - Senior Associate
Amgen
Scientist 2, Translational CVRM
Genentech
Scientist 3, Immunology and Ophthalmology, Sudharsan Lab
Genentech
Senior / Principal Scientist, Molecular Simulations
Flagship Pioneering
Postdoctoral Researcher – Integrative Genetics and Multi-Omics Data Science
Merck (MSD)
Senior Scientist I, Applied Machine Learning and Generative AI, Pharma R&D
Tempus AI
Director, Statistical Programming, Pharmacometrics
Regeneron Pharmaceuticals
Principal Scientist, Translational Informatics and Predictive Sciences
Bristol Myers Squibb
Biostatistics Manager
Amgen
Associate Director, Translational Data Science - Translational Medicine and Bioinformatics
AstraZeneca
Senior Principal Scientist, Pharmacokinetics
Merck (MSD)
Senior Scientist, Translational Development
Bristol Myers Squibb
Centralized Statistical Monitoring, Senior Manager
Amgen
Senior Machine Learning Scientist, Foundational ML, AI for Biology & Translation (AIBT)
Genentech
Principal Scientist, Translational Computational Biology
Bristol Myers Squibb
Associate Scientist, Post Doc Fellow- Quantitative Biosciences Early Discovery
Merck (MSD)
Agentic AI Sr. Engineer
AstraZeneca
Computational Biologics Design – Associate Principal Scientist
AstraZeneca
Data Scientist
Takeda
Scientific Machine Learning Engineer
Schrödinger
Head of Machine Learning Research (all genders)
Bayer
Real World Evidence Director
Novo Nordisk
Scientist II, Computational Biology, Pharma R&D
Tempus AI
Principal Engineer, AI/Software Support, Pooled Screening Core, Cell & Genetic Medicines
Johnson & Johnson
Associate Director, Biostatistics
Bristol Myers Squibb
Associate Director, Data Science
Bristol Myers Squibb
Data Scientist
GSK
Senior Director, Biostatistics
Gilead
Biostatistical Programming Senior Associate (Innovation)
Amgen
Principal Scientist, Biostatistics, Clinical Safety Statistics
Merck (MSD)
Senior Scientist/Associate Principal Scientist, AI
AstraZeneca
Director, Agentic AI Platform, China
AstraZeneca
Principal Statistical Programmer
Sanofi
Senior Principal Statistician, Early Development (Senior Director Level)
Genentech
Postdoctoral Research Fellow, BioMedicine Design
Pfizer
Research Scientist
Mass General Brigham
Principal Data Scientist
Amgen
Principal Scientist - Translational Medicine, Oncology
Genentech
Scientist, Wet Lab Automation (On-site)
Merck (MSD)
Senior Statistician II
AstraZeneca
Associate Principal Scientist, Biologics AI
AstraZeneca
PhD-level Computational Biologist
Cure51
Associate Director Statistical Programming - Pharmacometrics
Regeneron Pharmaceuticals
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