31 jobs for Cheminformatics

Retrosynthesis Researcher, Machine Learning USD 120K-145K

ASKCOS | AiZynthFinder | Attention Mechanism | Cheminformatics | Cloud Computing

401k | Dental insurance | Flexible work schedule | Health care | Paid vacation

Senior-level Full Time

New York

1d ago

Senior Scientist, Computational Chemistry USD 137K-172K

Cheminformatics | Co-folding | De Novo | De novo molecular design | MMGBSA

401k matching | Flexible spending account | Health insurance | Onsite gym | Uncapped vacation

Senior-level Full Time

San Diego HQ

1d ago

Director/Senior Director, Analytical Methods (Methods4Insight) USD 193K-338K

APIs | Applied Mathematics | Artificial Intelligence | Biophysics | Cheminformatics

Office environment | Travel opportunity

Senior-level Full Time

US: Boston MA Lilly Seaport Innovation …

3d ago

Scientific Software Developer II – Modeler USD 121K-180K

3D Machine Learning | C++ | Cheminformatics | Compuational Chemistry | Diffusion Models

401k retirement plans | Dental insurance | Flexible working schedule | Home internet reimbursement | Medical insurance

Mid-level Full Time

SANTA FE 01, United States

3d ago

Scientist, Computational Chemistry GBP 75K-101K

ABFE | ADMET | AWS | Alchemical transformations | Amber

Senior-level Full Time

United Kingdom - Remote R

4d ago

Computational ADMET Scientist - Drug Metabolism / Metabolomics GBP 52K-70K

Atom Level Modeling | CDK | ChemProp | Cheminformatics | Computational Chemistry

Cross time zone collaboration | Equity participation | Flexible work schedule | Remote work

Mid-level Full Time

United Kingdom - Remote R

4d ago

Sr/Principal Scientist, Computational Chemistry USD 137K-190K

Affinity prediction | Binding Affinity Prediction | Cheminformatics | Co-folding | Computational Chemistry

401k matching | Company paid healthcare | Dining | Flexible spending accounts | Onsite gym

Senior-level Full Time

San Diego HQ

4d ago

Senior Principal Research Scientist, Computational Drug Discovery Optimization Team Lead USD 177K-336K

Cheminformatics | Data Science | Drug Discovery | Drug design | Ligand docking

401k | Dental insurance | Health insurance | Long-term incentive program | Paid time off

Executive-level Full Time

North Chicago, IL, United States

7d ago

Senior Scientist, Computational Chemist GBP 50K-64K

ADMET | AWS | Active Learning | Amber | Cheminformatics

28 days annual leave plus bank holidays | Cycle to work scheme | Employee assistance program | Employee recognition schemes | Employer pension contribution

Senior-level Full Time

Cambridge, England, United Kingdom

8d ago

Scientific Software Developer II – Modeler USD 130K-200K

3D QSAR | Binding Free Energy Calculations | Binding free energy | Cheminformatics | Deep learning

Mid-level Full Time

SANTA FE 01, United States

9d ago

Principal Chemist USD 85K-128K

Cheminformatics | Data Curation | Data Pipelines | Data cleaning | Density Functional Theory

Senior-level Full Time

USA-Eagan Schuman Campus, United States

10d ago

Principal Scientist, Machine Learning, Biomolecules USD 208K-286K

3D structure modeling | ADMET | AWS Batch | AWS ECS | AWS EKS

Annual incentive plan | Company-provided benefits | Health insurance | Retirement benefits

Senior-level Full Time

Cambridge, MA USA

11d ago

Principal Scientist, Machine Learning, Genomics USD 208K-286K

AWS | AWS Batch | Airflow | Argo | CI/CD

Annual incentive program | Healthcare coverage | Retirement benefits

Senior-level Full Time

Cambridge, MA USA

11d ago

Technology Product Manager - Cheminformatics and Machine Learning EUR 52K-84K

Artificial Intelligence | Bioinformatics | Budget Management | CDK | Cheminformatics

Cross-site collaboration | Fast-paced work environment | Inclusive work environment

Mid-level Full Time

BE009 Turnhoutseweg 30, Belgium

11d ago

Head of Computational Drug Design, Cambridge, MA USD 230K-280K

ADC | ADMET | Active Learning | Artificial Intelligence | Cheminformatics

Hybrid working | Inclusion-focused culture | Professional development

Executive-level Full Time

Cambridge, MA R

15d ago

Principal Computational Chemist EUR 65K-85K

ADMET | ADMET modeling | CCDC | Cheminformatics | Drug design

Flexible work arrangements | Remote work up to two days per week | Visa sponsorship

Senior-level Contract Full Time

Paris

15d ago

Senior Computational Chemist USD 106K-176K

AWS | Cheminformatics | Cloud Computing | Code review | Data Pipelines

401k matching | Dental coverage | Health benefits | Hybrid work | Medical leave

Senior-level Full Time

USA - MA - Cambridge Kendall …

16d ago

Principal Scientist, Computational Chemistry USD 202K-236K

Active Learning | Alphafold | Cheminformatics | Cloud Computing | Computational Chemistry

Senior-level Full Time

SSF, United States

16d ago

Senior Computational Chemist USD 106K-176K

AWS | Cheminformatics | Cloud Computing | Code review | Data Analysis

401k matching | Hybrid work | Medical leave | Medical, dental & vision coverage | Paid Holidays

Senior-level Full Time

USA - MA - Cambridge Kendall …

16d ago

Computational Chemistry Senior Research Scientist USD 125K-188K

ADME modeling | Cheminformatics | Data Analysis | Data Mining | Free energy

401k matching | Annual bonus | Annual equity awards | Charitable donation matching | Commuting subsidy

Senior-level Full Time

5005 - Vertex US - San … R

19d ago

Senior Machine Learning Scientist, Drug Discovery Analytics USD 229K-269K

ADMETox | Cheminformatics | Cloud Computing | Data Analysis | Data Visualization

Senior-level Full Time

Redwood City, California, United States

21d ago

Senior Scientist I, Computational Chemistry USD 149K-186K

Bash | C# | Cheminformatics | Computational Chemistry | Data Science

Senior-level Full Time

Redwood City, California, United States

21d ago

Principal Machine Learning Scientist, Drug Discovery Analytics USD 273K-321K

Active Learning | Bioinformatics | Cheminformatics | Cloud Computing | Deep learning

Senior-level Full Time

Redwood City, California, United States

21d ago

Computational Drug Discovery Intern (2026) USD 70K-75K

API Integration | Active Learning | Bayesian optimization | Cheminformatics | Databricks

Onsite work

Entry-level Internship

Emeryville, California, United States

24d ago

Machine Learning Engineer A USD 156K-156K

Active Learning | Bayesian Inference | Bayesian optimization | Cheminformatics | Machine Learning

401k | Dental insurance | Medical insurance | Paid sick leave | Vision insurance

Mid-level Contract

South San Francisco, United States

28d ago

Computational Chemist, Senior Scientist II / Principal Scientist I USD 120K-165K

ADMET | Cheminformatics | Chemoinformatics Databases | Ligand screening | Machine Learning

401k | Catered meals | Company events | Dental insurance | Flexible work schedule

Mid-level Full Time

New York

1mo ago

Junior AI Scientist for Materials CNY 28K-50K

Amazon Web Services | Azure | Azure OpenAI | Cheminformatics | ChromaDB

Entry-level Full Time

Pudong, Shanghai, China

1mo ago

Research Advisor, Computational Chemistry USD 136K-185K

ADME | AM1 BCC | Ab Initio | Artificial Intelligence | Cheminformatics

Senior-level Full Time

United States - Remote R

1mo ago

Research Advisor, Computational Chemistry INR 2500K-4225K

AM1 BCC | Ab Initio | Artificial Intelligence | Cheminformatics | Cloud Computing

Senior-level Full Time

India - Remote R

1mo ago

Senior Principal Computational Scientist, Discovery Chemistry Department USD 173K-322K

Active Learning | Automated Workflows | Bioinformatics | Cheminformatics | Cloud Computing

Relocation assistance

Senior-level Full Time

South San Francisco, United States

1mo ago

Senior Data Engineer USD 141K

AWS | Agile | CI/CD | Cheminformatics | DBT

Relocation benefits

Senior-level Full Time

New York, United States

1mo ago

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