34 jobs for RDKit

Scientist, Machine Learning (Principal Scientist - Associate Director) USD 138K-205K

ADMET modeling | Affinity prediction | Alphafold | ChemProp | Co-folding

401k match | Dental insurance | Disability insurance | Life insurance | Medical insurance

Mid-level Full Time

Boston, MA

19h ago

Chemistry & Python Expert - Freelance AI Trainer USD 34K

Autodock Vina | CREST | GNINA | GROMACS | LAMMPS

Freelance project-based work | Part-time hours

Senior-level Freelance

Brazil - Remote R

1d ago

Chemistry & Python Expert - Freelance AI Trainer USD 70K

Autodock Vina | Docking | GROMACS | Linux | Molecular Dynamics

Flexible schedule | Part-time project-based work | Remote work

Senior-level Freelance

India - Remote R

1d ago

Chemistry & Python Expert - Freelance AI Trainer USD 70K

Autodock Vina | CREST | GNINA | GROMACS | LAMMPS

English CV requirement | Part-time availability | Project based work

Senior-level Freelance

United Kingdom - Remote R

1d ago

Chemistry & Python Expert - Freelance AI Trainer USD 90K

Autodock Vina | CREST | GNINA | GROMACS | LAMMPS

Flexible hours | Project based work | Remote work opportunities

Senior-level Freelance

Germany - Remote R

1d ago

Chemistry & Python Expert - Freelance AI Trainer CAD 70K

Autodock Vina | Basis set | Convergence testing | Docker | GROMACS

Freelance project-based work | Part-time schedule

Senior-level Freelance

Canada - Remote R

1d ago

Senior Scientist - Principal Scientist, Computational Chemistry USD 150K-220K

AWS | Cloud platform | Computational Chemistry | Conformer Selection | CryoEM

401k match | Dental insurance | Disability insurance | Equity | Life insurance

Senior-level Full Time

Boston, MA

1d ago

Computational Chemist GBP 55K-55K

ADMET | Chemical Data | Chemical data handling | Cheminformatics | Command Line

Senior-level Contract Full Time

London

1d ago

Head of Computational Chemistry USD 210K-274K

ADME | Active Learning | Chemical Data | Chemical Data Quality | Cheminformatics

Executive-level Full Time

San Francisco, CA

6d ago

Director, Data Science and Machine Learning USD 232K-319K

AWS | ChemProp | Chemoinformatics | DNA Sequencing | Data integration

Annual incentive program | Healthcare coverage | Retirement benefits

Executive-level Full Time

Cambridge, MA USA

8d ago

Chemist with Python Experience - Freelance AI Trainer USD 152K

Autodock Vina | Basis sets | Conda | Convergence thresholds | Density Functional Theory

Flexible schedule | Project based work | Remote work

Mid-level Freelance

South Africa - Remote R

9d ago

Chemistry & Python Expert - Freelance AI Trainer USD 70K

Autodock Vina | Basis set | CREST | Docking | Force Field

Flexible scheduling | Project based work

Senior-level Freelance

India - Remote R

9d ago

Chemistry & Python Expert - Freelance AI Trainer USD 34K

Autodock Vina | Basis set | Cheminformatics | Containerized Execution | Convergence thresholds

Remote work opportunities

Senior-level Freelance

Brazil - Remote R

9d ago

Chemistry & Python Expert - Freelance AI Trainer USD 70K

Autodock Vina | CREST | GNINA | GROMACS | LAMMPS

Flexible schedule | Part-time project work

Senior-level Freelance

United Kingdom - Remote R

9d ago

Chemistry & Python Expert - Freelance AI Trainer CAD 70K

Autodock Vina | Computational Chemistry | Docker | GROMACS | Linux

Flexible part-time hours | Project based work | Remote work

Senior-level Freelance

Canada - Remote R

9d ago

Chemistry & Python Expert - Freelance AI Trainer USD 90K

Autodock Vina | Basis set | Force Field | GNINA | GROMACS

Part-time hours | Project based work

Senior-level Freelance

Germany - Remote R

9d ago

Senior Computational Research Scientist USD 104K-186K

ChemProp | Chemical informatics | Computational Chemistry | Data Mining | High Performance

Senior-level Full Time

Remote - TN, United States R

10d ago

Sr Scientist, Data Science – R&D DSDH – Discovery Biologics USD 109K-174K

AWS | Antibody Design | Artificial Intelligence | Azure | Data Ingestion

Bereavement leave | Caregiver leave | Holiday pay | Paid time off | Parental leave

Senior-level Full Time

US337 MA Cambridge - 301 Binney …

14d ago

Senior Scientist AI/ML USD 169K-219K

ADMET modeling | Applicability Domain | Cheminformatics | Deep learning | Diffusion Models

Dental insurance | Health insurance | Life insurance | Paid time off | Vision insurance

Senior-level Full Time

US - CA - Foster City, …

17d ago

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

21d ago

Principal Data Scientist – R&D DSDH - Therapeutics Discovery (TD) USD 117K-201K

AWS | Artificial Intelligence | Cloud platform | Data Engineering | Data Governance

Bereavement leave | Caregiver leave | Holiday pay | Military spouse time-off | Parental leave

Senior-level Full Time

US026 PA Spring House - 1400 …

24d ago

Computational Polymer Chemist EUR 67K-88K

Biopolymer | Data Engineering | Data Science | Database Management System | Deep learning

Bridge days | Employee Choice Budget | Time off | Vacation days

Mid-level Full Time

Leiden, Netherlands

24d ago

Scientist, Computational Chemistry GBP 75K-101K

ABFE | ADMET | AWS | Alchemical transformations | Amber

Senior-level Full Time

United Kingdom - Remote R

24d ago

ML Engineer (Binding) GBP 74K-100K

AWS | Azure | Cloud Computing | Computational Drug Discovery | Deep learning

Cycle to work scheme | Option plan | Pension scheme | Private medical insurance | Remote Working

Senior-level Full Time

London, England, United Kingdom

1mo 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

1mo 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

1mo ago

Computational Chemist INR 700K-900K

Ab Initio | C# | ChemProp | Density Functional Theory | Feature Engineering

Mid-level Full Time

Bangalore,IND, India

1mo 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

1mo 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

1mo ago

Computational Materials Scientist INR 800K-1133K

Ab Initio | C# | ChemProp | Density Functional Theory | Fortran

Mid-level Full Time

Bangalore,IND, India

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

Vertex Fall Co-op 2026, Data and Computational Sciences USD 54K-86K

Amber | Bash | CPPTRAJ | Double Decoupling | FEP

Career development opportunities | Free breakfast daily | Group exercise classes | Onsite gym access | Recognition for National Intern Day

Entry-level Full Time

5005 - Vertex US - San …

1mo ago

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