Cheminformatics & Computational Chemistry Jobs

Fresh AI: 95

Director / Senior Director – Cheminformatics and Applied AI

Eli Lilly

Boston, Massachusetts $194-308k 3d ago

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Fresh AI: 95

Scientist, Cheminformatics

Octant Bio

Emeryville, California, United States $150-190k Sep 1

R

Recent AI: 88

Senior Scientist II, Computational Chemistry

Revolution Medicines

Redwood City, California, United States 1w ago

I

AI: 92

Assistant Principal Scientist, Computational Chemistry

Insmed

Research Development Lab - Cambridge 2w ago

AI: 95

Principal ML/AI Cheminformatics Scientist

Pfizer

United States - Connecticut - Groton $106-177k Jun 14

AI: 95

Senior ML/AI Cheminformatics Scientist

Pfizer

United States - Connecticut - Groton $94-156k Jun 12

AI: 88

Principal Scientist (Computational Chemistry)

Genentech

South San Francisco $145-269k 3w ago

AI: 88

Computational Chemistry Co-op , Closed-Loop Ligand Design and Optimization (Doctoral)

AstraZeneca

US - New Haven - CT 3w ago

AI: 92

12 Month University Industrial Placement Student: Computational Chemistry

AstraZeneca

UK - Cambridge 🇬🇧UK 4w ago

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AI: 85

Senior Data Engineer, Bioinformatics, Cheminformatics, Materials

Lila Sciences

San Francisco, CA USA Sep 2

AI: 93

Computational Chemistry Principal Research Scientist (Computational Drug Design)

Vertex Pharmaceuticals

Boston, MA $145-217k Aug 31

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AI: 88

Scientific Director, Computational Chemistry

Neurocrine

US CA San Diego $218-298k Aug 26

A

AI: 88

Computational Chemistry Lead

Astellas Pharma

Cambridge, MA $119-170k Aug 25

AI: 95

Cheminformatics & Synthesis Prediction

Ginkgo Bioworks

Boston, Massachusetts Aug 25

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AI: 95

Senior Scientist - Principal Scientist, Computational Chemistry

Superluminal Medicines

Boston, MA Aug 20

AI: 95

Director/Senior Director, Computational Chemistry

Flagship Pioneering

Cambridge, MA USA $176-294k Aug 18

AI: 92

Research Senior Scientist, Cheminformatics

Takeda

Boston, MA $137-215k Aug 17

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AI: 88

Senior Principal Scientist / Director – Computational Chemistry (IDD)

Pharmaron

Hoddesdon 🇬🇧UK Jul 25

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New AI: 96

Senior Staff Bioinformatics Scientist (AI-guided protein engineering)

Illumina

Singapore - Woodlands - NorthCoast 🇸🇬Singapore Today

New AI: 88

Advisor - Scientific Machine Learning & Agentic Workflows Engineer

Eli Lilly

US, Indianapolis IN $131-211k Today

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New AI: 88

Senior / Principal Scientist, Molecular Simulations

Flagship Pioneering

Cambridge, MA USA Yesterday

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New AI: 95

Associate Scientist, Post Doc Fellow- AI/ML & Computational Biology for Antigen Design

Merck (MSD)

USA - Pennsylvania - West Point $82-92k Yesterday

New AI: 88

Grad Co-op — Computational Safety Modeling for Small Molecules

Amgen

United States - Remote $35-$41/hr Yesterday

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New AI: 85

Associate Scientist, Post Doc Fellow- Quantitative Biosciences Early Discovery

Merck (MSD)

USA - New Jersey - Rahway $82-92k Yesterday

R

New AI: 95

Senior Machine Learning Scientist I, Drug Discovery Analytics

Revolution Medicines

Redwood City, California, United States 4d ago

S

New AI: 93

Scientific Machine Learning Engineer

Schrödinger

New York $130-160k 2d ago

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New AI: 85

Head of Machine Learning Research (all genders)

Bayer

Berlin, Berlin, Germany 🇩🇪Germany 2d ago

New AI: 88

Director, Agentic AI Platform, China

AstraZeneca

Shanghai Jing'An Office 🇨🇳China 2d ago

Fresh AI: 95

Principal Scientist, Computational Protein Design

Moderna

Cambridge, Massachusetts $143-257k 3d ago

Fresh AI: 86

Advisor - Reaction Informatics, Chemical Reactivity Landscape

Eli Lilly

South San Francisco, California $168-268k 3d ago

Fresh AI: 88

Sr. AI Science Lead

Eli Lilly

South San Francisco, California $267-392k 3d ago

Fresh AI: 92

Machine Learning Scientist/Senior Machine Learning Scientist - Agents for Applied Small Molecule Drug Design, AI for Drug Discovery

Genentech

San Francisco $148-274k 4d ago

Fresh AI: 92

Senior Specialist, Data Science & AI

Novartis

Cambridge (USA) $139-257k 6d ago

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Recent AI: 96

Senior Director / Vice President, Machine Learning (Generative Chemistry)

Flagship Pioneering

Cambridge, MA USA 7d ago

R

Recent AI: 88

Machine Learning Scientist II

Revolution Medicines

Redwood City, California, United States 7d ago

N

Recent AI: 92

Lead Machine Learning Scientist

Novo Nordisk

Måløv, Capital Region of Denmark, DK 🇩🇰Denmark 1w ago

B

Recent AI: 85

Head of Machine Learning Research

Bayer

Cambridge, Massachusetts, United States $177-266k 1w ago

B

Recent AI: 80

Principal Machine Learning Scientist (all genders)

Bayer

Berlin 🇩🇪Germany 1w ago

Recent AI: 92

Senior Scientist/Associate Principal Scientist, AI for small-molecule

AstraZeneca

Beijing Yizhuang 🇨🇳China 1w ago

Recent AI: 88

Computational Sciences (Multiple Roles) Industrial Placement, 2027

GSK

UK - Hertfordshire - Stevenage 🇬🇧UK 1w ago

Recent AI: 88

Associate Director, Data Science

Novartis

Cambridge (USA) $160-298k 1w ago

Recent AI: 85

Associate Principal Scientist, Generative AI

AstraZeneca

Beijing Yizhuang 🇨🇳China 1w ago

Recent AI: 92

Associate Principal Scientist, AI for Chemical Toxicology

AstraZeneca

Beijing Yizhuang 🇨🇳China 1w ago

Recent AI: 92

Associate Director - Machine Learning Sciences

Bristol Myers Squibb

Cambridge Crossing - MA - US $212-257k 1w ago

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Recent AI: 95

Associate Director, Data Science, Computational Oncology

Merck (MSD)

USA - Massachusetts - Boston (MA Parcel B Laboratory) $160-251k 1w ago

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Recent AI: 75

Intern - Research - Protein Therapeutics

Gilead

United States - California - Foster City 1w ago

AI: 88

Computational Medicinal Chemist

Novartis

LaJolla/SD $126-234k 2w ago

AI: 92

Data Scientist - Clinical Machine Learning & Flow Cytometry

St. Jude

Memphis, TN $126-238k 2w ago

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AI: 90

Sr. Manager, MCICC - AI

Merck (MSD)

CHN - Shanghai - Shanghai (Tower A) 🇨🇳China 2w ago

AI: 92

Thesis Work, 30 Credits - Advancing AI for Drug Discovery with MolecularAI at AstraZeneca

AstraZeneca

Sweden - Gothenburg 🇸🇪Sweden 2w ago

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AI: 90

Senior AI/ML Scientist – Drug Discovery & R&D Operations

Elanco

Indianapolis, IN 2w ago

N

AI: 92

AI Scientist

Nabla Bio

Boston, MA 2w ago

AI: 88

Structural Biologist III

Tempus AI

Ambry Headquarters $120-170k 2w ago

AI: 88

Senior Machine Learning Engineer

Amgen

India - Hyderabad 🇮🇳India 3w ago

AI: 95

Senior Data Scientist - Protein Structure ML models

Amgen

India - Hyderabad 🇮🇳India 3w ago

AI: 92

Senior Data Scientist - Protein Data Pipelines

Amgen

India - Hyderabad 🇮🇳India 3w ago

AI: 75

Software Development Engineer/Senior Software Development Engineer, Agentic Systems, AI for Drug Discovery

Genentech

South San Francisco $115-214k 3w ago

AI: 95

Bioinformatics Research Scientist - Center of Excellence for Pediatric Immuno-Oncology

St. Jude

Memphis, TN $86-155k 3w ago

AI: 95

Senior Bioinformatics Research Scientist / Bioinformatics Research Scientist Neurobiology and Brain Tumor Program (NBTP)

St. Jude

Memphis, TN $104-186k 3w ago

AI: 88

AI Scientist (Model Building & Training)

Eli Lilly

San Francisco, California 3w ago

AI: 75

Principal Scientist, Structural Biology

Genentech

South San Francisco $151-280k 3w ago

AI: 88

Principal Scientist, AI & Autonomous Discovery Systems - Spring House, PA

Johnson & Johnson

Spring House, Pennsylvania, United States of America $117-201k 3w ago

AI: 92

Senior Data Scientist, Biologics Discovery

Johnson & Johnson

Spring House, Pennsylvania, United States of America $109-175k 3w ago

AI: 92

Senior Data Scientist, Biologics Discovery - Madrid, ES

Johnson & Johnson

Madrid, Spain 🇪🇸Spain $55-88k 3w ago

AI: 78

Executive Director, Oncology Translational Medicine, Clinical Pharmacology Modeling and Simulation

GSK

USA - Massachusetts - Waltham 3w ago

AI: 88

Director, AI/ML MIDD Oncology Clinical Pharmacology, Modeling and Simulation

GSK

USA - Massachusetts - Waltham $188-314k 3w ago

AI: 92

Sr Associate, Agentic AI in Discovery Chemistry

Amgen

India - Hyderabad 🇮🇳India 3w ago

AI: 85

Senior Data Scientist

Amgen

India - Hyderabad 🇮🇳India 3w ago

AI: 93

Agentic AI Lead – Protein Design & Molecular Engineering

Amgen

India - Hyderabad 🇮🇳India 3w ago

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AI: 95

Intern – Research – Protein Therapeutics, Computational Biologics Engineering

Gilead

United States - California - Foster City 3w ago

AI: 95

Associate Director, Computational Sciences — Biotherapeutics Portfolio Group Lead

Bristol Myers Squibb

Cambridge, MA,US $212-257k 3w ago

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AI: 88

Senior / Principal Scientist, Structural Biology — Target Druggability & Structure-Based Drug Design

Schrödinger

Framingham; New York $120-190k 4w ago

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AI: 92

Scientist II / Senior ML Scientist, Data-Efficient Learning for Drug Discovery

Lila Sciences

Cambridge, MA USA; London, UK; San Francisco, CA USA Sep 2

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AI: 88

Scientist II/Senior Scientist, Computational Biophysics

Lila Sciences

Cambridge, MA USA; London, UK; San Francisco, CA USA Sep 2

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AI: 82

Computational Scientist I/II, Soft Matter Formulations , Complex Fluids

Lila Sciences

Cambridge, MA USA Sep 2

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AI: 80

Principal Scientist / Associate Director, Agentic AI Research for Materials Science

Lila Sciences

Cambridge, MA USA; San Francisco, CA USA Sep 2

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AI: 75

Director/Senior Director, Molecular Discovery

Lila Sciences

Cambridge, MA USA; London, UK; San Francisco, CA USA Sep 2

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AI: 60

Staff Forward Deployed Engineer, Life Sciences

Lila Sciences

Cambridge, MA USA Sep 2

AI: 95

Senior Principal Scientist, Agentic Systems Development for Drug Discovery

Vertex Pharmaceuticals

Boston, MA $168-252k Aug 31

AI: 88

Scientific Fellow, Agentic AI (AI Co-Scientist Lead)

Vertex Pharmaceuticals

Boston, MA Aug 31

AI: 92

Senior Principal Scientist, Applied AI & Agentic Systems for Small-Molecule Drug Discovery

Vertex Pharmaceuticals

Boston, MA $168-252k Aug 31

AI: 95

Executive Director, Data & Methods (Data and Computational Sciences)

Vertex Pharmaceuticals

Boston, MA $271-406k Aug 31

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AI: 95

Research Leader / Senior Scientist (Computational Drug Design), Cambridge, MA

Isomorphic Labs

Cambridge, MA Aug 29

C

AI: 85

Research Engineer, AI

Chan Zuckerberg Biohub

New York, NY (Hybrid) $214-375k Aug 28

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AI: 92

Computational Scientist

Tamarind Bio

San Francisco Aug 27

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AI: 95

Senior Director, Computational Drug Discovery (DK/US)

Zealand Pharma

Cambridge, MA, US $223-300k Aug 27

S

AI: 90

Force Field Scientist

Schrödinger

New York $120-145k Aug 26

G

AI: 88

Computational Synthetic Chemist

Ginkgo Bioworks

Boston, Massachusetts $115-165k Aug 25

S

AI: 88

Principal Data Scientist

Structure Therapeutics

South San Francisco, California, United States $174-217k Aug 24

A

AI: 92

Sr. Scientist I/Sr. Scientist II, Applied AI & Agentic Systems for Drug Discovery

Antares Therapeutics

Boston, MA $160-220k Aug 21

AI: 85

Data Scientist II, ML Expert

AbbVie

North Chicago, IL, Aug 20

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AI: 92

Research Scientist, Molecular AI

Takeda

Boston, Massachusetts $116-182k Aug 19

AI: 85

Scientist Machine Learning for Ingredient Discovery - Long Island City, NY

dsm-firmenich

Princeton, NJ,US $100-140k Aug 19

AI: 92

Senior Scientist, AI/ML (Biologics Design)

Gilead

United States - California - Foster City $169-219k Aug 19

AI: 98

Senior Bioinformatics Research Scientist

St. Jude

Memphis, TN $104-186k Aug 18

B

AI: 90

ML Research Engineer/Scientist

Boltz

London, UK 🇬🇧UK Aug 14

B

AI: 88

Applied ML Engineer/Scientist

Boltz

London, UK 🇬🇧UK Aug 14

B

AI: 92

Small Molecule Computational Scientist

Boltz

London, UK 🇬🇧UK Aug 14

I

AI: 92

Research Scientist (Applied LLMs), London

Isomorphic Labs

London 🇬🇧UK Aug 9

AI: 35

2027 Spring Post-Doctoral Fellowship Opportunities, Waltham, MA

Sanofi

Waltham Aug 7