13 cheminformatics jobs at 10 companies in California
1mo
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Data Science, Cheminformatics & AI: Lab-in-the-Loop Hit Finding
San Diego, California, United States
$139k-$257k/yr OnsiteFull Time
4+ YOEPhD or equivalent degree with 4+ years post‑graduate experience applying cheminformatics, data science, and ML to hit finding; proficiency in Python, SQL, Linux/HPC/cloud; strong communication and interdisciplinary collaboration skills.
Python (Programming Language), Pandas (Python), R (Programming Language), Sql (Structured Query Language), Linux, Enamine REAL
1mo
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Data Science, Cheminformatics & AI: Lab-in-the-Loop Hit Finding
San Diego, California, United States
$139k-$257k/yr OnsiteFull Time
4+ YOEPhD or relevant degree with 4+ years post-graduate experience in cheminformatics/data science for hit finding; proficiency in Python, Linux/cloud, SQL; experience with hit-finding, ML, and agentic/self-driving lab workflows.
Linux, Python, SQL, Enamine REAL
2w
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Scientist/Sr. Scientist, Computational Chemistry
San Francisco, California, United States
OnsiteFull Time
3+ YOEPhD-preferred computational chemist with 3+ years in pharma/biotech, hands-on SBDD and ligand-based design, experience with cheminformatics, AI/ML molecular design, Python and RDKit, and cross-functional collaboration.
Schrödinger, MOE, CCDC tools, ChemAxon, KNIME, Pipeline Pilot, RDKit, DataWarrior, Spotfire, AlphaFold, Python
6d
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Technical Product Manager, Chemistry IT Systems
Spring House or San Diego or La Jolla or Beerse
$102k-$177k/yr HybridFull Time
5+ YOEBachelor's degree in chemistry, life science, or data science required; 5+ years in pharmaceutical R&D molecular discovery; experience with scientific IT, cheminformatics, databases, KNIME or Pipeline Pilot, chemistry software, and analytics tools.
KNIME, Pipeline Pilot, Schrödinger, BIOVIA, Revvity, OpenEye, ChemAxon, RDKit, Oligokit, Spotfire, ETL, AI, machine learning
1mo
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Senior Computational Chemist
La Jolla, California, United States
$106k-$177k/yr HybridFull Time
Ph.D. (or M.S. with substantial industry experience) in computational chemistry/cheminformatics/computer science; deep cheminformatics knowledge; Python and RDKit experience; numpy/pandas; applied ML experience; data pipeline and prototyping skills.
Python, RDKit, numpy, pandas, SQL, RestAPI, GitHub, SLURM, AWS, GCP, GitHub Copilot
2mo
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Staff Engineer, Chemical Search
San Diego, California, United States
$180k-$200k/yr OnsiteFull Time
5+ YOEProven production chemistry search system design and implementation; strong cheminformatics tooling experience; proficient in Python; knowledge of retrosynthesis and molecule representations; experience with vector indexes.
RDKit, OpenEye, AiZynthFinder, ASKCOS, Synthia, IBM RXN
6d
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Advisor - Agent Research
San Francisco or Indianapolis or San Diego or Boston or South San Francisco
$152k-$222k/yr OnsiteFull Time
1+ YOEPhD, or equivalent master's or bachelor's experience, in ML, bioinformatics, cheminformatics, computer science, or related field; 1–2 years scientific AI/ML experience and hands-on AI model training.
Python, PyTorch, TensorFlow, JAX, Hugging Face, PPO, GRPO, DPO, RLHF, RLAIF, TRL, RDKit, MLflow, OpenAI Agent SDK, Anthropic Agent SDK, LangChain, Smol agents, AWS, Azure, Nextflow, Argo, Kubernetes, GitHub, NeurIPS, ICML, ICLR, ACL, EMNLP
1w
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Post Doc Scientist, Structural Biology and Chemistry
Foster City, California, United States
OnsiteFull Time
0+ YOEPh.D. in a relevant field with expertise in AI/ML for drug discovery or computational chemistry, strong Python and ML skills, experience with cheminformatics toolkits, and ability to design and evaluate models and communicate results.
Python, RDKit, OpenEye, Schrodinger
1mo
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Machine Learning Scientist - Synthesis Planning and Optimization
South San Francisco or San Francisco or Welwyn or Basel
$148k-$311k/yr OnsiteFull Time
PhD-level researcher with deep ML expertise (GNNs, language models, RL), fluent in Python and ML frameworks, familiarity with synthesis chemistry and cheminformatics (RDKit/Openeye), experience building scalable ML pipelines and publication record.
RDKit, Openeye, Python, PyTorch, JAX, GitHub, GitLab
1mo
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Scientific Director, Computational Chemistry
San Diego, California, United States
$218k-$298k/yr OnsiteFull Time
8+ YOEAdvanced degree plus 8+–12+ years computational chemistry drug discovery experience, leadership experience, expertise in molecular modeling, SBDD, cheminformatics, AI/ML, cloud/HPC workflows, and experience integrating computational methods into multidisciplinary teams.
Knime, Schrödinger, OpenEye, MOE
1mo
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Machine Learning Scientist - Agents for Applied Small Molecule Drug Design
San Francisco or South San Francisco or Welwyn or Basel
$148k-$311k/yr OnsiteFull Time
PhD-level ML researcher with experience building LLM-driven agents, strong foundations in ML (GNNs, sequence/language models, RL), fluent in Python, experience with LangChain, PyTorch or JAX, and cheminformatics toolkits (RDKit/OpenEye); record of publications.
Python, LangChain, PyTorch, JAX, RDKit, OpenEye, LLM, GNNs, sequence models, language models, reinforcement learning, GitHub, GitLab
6d
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Technical Product Manager, Chemistry IT Systems
Spring House or San Diego or Beerse or La Jolla
$102k-$177k/yr HybridFull Time
5+ YOEBachelor’s degree in chemistry, life science, or data science required; graduate degree preferred. Requires 5+ years in pharmaceutical molecular discovery, database management, and scientific IT or informatics delivery.
KNIME, Pipeline Pilot, Schrödinger, BIOVIA, Revvity, OpenEye, ChemAxon, RDKit, Oligokit, Spotfire, ETL, Human-Computer Interaction (HCI)
6d
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Senior Principal Research Scientist, Computational Chemistry
South San Francisco, California, United States
$196k-$242k/yr HybridFull Time
9+ YOEPhD in computational chemistry or related field, 9+ years of pharmaceutical or biotechnology experience, expertise in computational drug discovery, programming, data analysis, machine learning, and drug design software.
Schrödinger, MOE, OpenEye, Machine Learning, Artificial Intelligence, Molecular Dynamics, Quantum Mechanics, Cheminformatics, Programming, Scripting, Statistics, Data Analysis