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Member of the Technical Staff, Cheminformatics
New York City or New York
$150k-$250k/yr HybridFull Time
2+ YOEPhD (2+ years postdoc/industry) or Master's (5+ years) in chemistry/cheminformatics; deep organic chemistry and synthesis knowledge; experience training ML models on molecular data; strong Python skills; cheminformatics pipeline experience.
Python
1mo
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Principal ML/AI Cheminformatics Scientist
Groton, Connecticut, United States
$106k-$177k/yr HybridFull Time
4+ YOEPhD (4+ years) or Master’s (9+ years) in cheminformatics/computational chemistry/data science; experience applying ML/AI to medicinal chemistry; strong Python and cheminformatics library experience (RDKit, OpenEye, DeepChem); strong collaboration and communication skills.
Python, RDKit, OpenEye, DeepChem, InChI, SMILES, SMARTS
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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Post Doctoral Research Fellow
Fargo, North Dakota, United States
$45k/yr OnsiteFull Time
Ph.D. required in chemistry, biology, cheminformatics, computational chemistry, computer science or related; demonstrated ML/AI and cheminformatics experience for materials, Python/C++ programming, ability to write manuscripts and present findings.
Python, C++, CDKit, RDKit, ChemAxon, KNIME
1mo
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Post-doctoral Computational Chemist, Advanced Molecular Design
Indianapolis, Indiana, United States
$58k-$123k/yr OnsiteFull Time
Ph.D. required by Aug 2026; authorized to work in the US (no visa sponsorship). Expertise in quantum mechanics, molecular dynamics, free energy methods, scripting (Python), HPC, and cheminformatics; strong collaboration and communication skills.
Schrödinger, MOE, Gaussian, Orca, GAMESS, OpenMM, AMBER, CHARMM, GROMACS, Desmond, Python, RDKit, OpenEye, ChemAxon, MDAnalysis, NumPy, SciPy, pandas, GitHub, GitLab, HPC
3mo
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Principal Scientist, Computational Chemistry
Boulder, Colorado, United States
$165k-$190k/yr OnsiteFull Time
3+ YOEPhD in Computational Chemistry or related field with 3+ years industry experience; expertise in structure-based design, docking, virtual screening, MOE, and cheminformatics; strong programming and Linux HPC skills; excellent communication.
MOE, Spotfire, Linux/Unix, SLURM, LSF, PBS/Torque, Python, Cheminformatics tools
2d
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Principal Scientist - Molecular Informatics & Computational Platforms
San Diego, California, United States
$117k-$201k/yr HybridFull Time
3+ YOEPhD in cheminformatics/computational chemistry or related,3+ years industry experience,LLM and agentic-AI experience,cheminformatics and programming proficiency,SQL/Snowflake and cloud/container familiarity.
Claude Code, KNIME, OpenEye, RDKit, Python, R, pandas, scikit-learn, PyTorch, SQL, Snowflake
2d
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Principal Scientist - Molecular Informatics & Computational Platforms
San Diego, California, United States
$117k-$201k/yr HybridFull Time
3+ YOEPhD in cheminformatics/computational chemistry/chemical engineering, 3+ years industry experience, hands-on LLM tools, cheminformatics software, Python/R, ML libraries, SQL/Snowflake, cloud/container deployment, strong communication.
Claude Code, MCP, RAG, KNIME, OpenEye, RDKit, Python, R, pandas, scikit-learn, PyTorch, SQL, Snowflake
2d
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Principal Scientist - Molecular Informatics & Computational Platforms
San Diego, California, United States
$117k-$201k/yr HybridFull Time
3+ YOEPhD in cheminformatics/computational chemistry/chemical engineering or related; 3+ years industry experience; hands-on LLM tools (e.g., Claude Code), cheminformatics software, Python/R, ML libraries, SQL/Snowflake, cloud and container deployment; strong communication.
Claude Code, KNIME, OpenEye, RDKit, Python, R, pandas, scikit-learn, PyTorch, SQL, Snowflake, MCP, RAG
3mo
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Retrosynthesis Researcher, Machine Learning
New York, New York, United States
$120k-$145k/yr OnsiteFull Time
PhD in Chemistry, Computational Chemistry, Cheminformatics, or related field; strong publication record in retrosynthesis and computational chemistry.
RDKit, Open Babel, Python, PyTorch, TensorFlow, JAX, AiZynthFinder, ASKCOS, IBM RXN, Schrödinger Suite, LiveDesign
2mo
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Senior Associate Scientist, Molecular Data
United States
$120k-$182k/yr RemoteFull Time
BS/MS in Cheminformatics, Computational Chemistry, data science, or related; Python and SQL; experience with large scientific datasets; Linux experience.
Python, pandas, numpy, scipy, matplotlib, SQL, Linux
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
1mo
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Scientific Software Developer
New York, New York, United States
$250k-$600k/yr HybridFull Time
Develop scientific software and workflows for drug discovery, including cheminformatics tools, virtual screening/docking, molecule design, scalable chemical databases, modeling, analysis, and visualization.
1w
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Scientist Machine Learning for Ingredient Discovery - Long Island City, NY (81736)
Princeton or Long Island City
$100k-$140k/yr OnsiteFull Time
2+ YOEPhD in relevant field, 2+ years post-degree experience in cheminformatics/computational chemistry or related, strong Python and ML skills, RDKit and cloud experience, excellent communication.
Python, NumPy, SciPy, Pandas, Matplotlib, Scikit-Learn, TensorFlow, PyTorch, Keras, RDKit, Azure, AWS, git
1mo
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Scientific Product Specialist, ADMET Predictor
United States
$100k-$120k/yr RemoteFull Time
2+ YOE2+ years in medicinal/computational chemistry, cheminformatics, or pharmaceutical sciences; knowledge of ADMET and regulatory guidelines; proficiency in Python, R, or KNIME; presentation, training, and scientific writing experience.
ADMET Predictor, Python, R, KNIME, RDKit, Schrödinger, MOE
1mo
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Scientist, Data Science, Computational Receptor Biology - Long Island City, NY
Long Island City, New York, United States
$100k-$140k/yr OnsiteFull Time
1+ YOEMaster's/PhD or equivalent experience in CS, bioinformatics, chemistry or related; 1+ years relevant experience; strong receptor biology, cheminformatics, ML, Python, CI/CD, and collaboration skills.
Python, CI/CD
2w
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2027 Spring Post-Doctoral Fellowship Opportunities, Waltham, MA
Waltham, Massachusetts, United States
$98k/yr OnsiteFull Time
PhD in Chemical Engineering, Bioinformatics, Cheminformatics, or Data Science; must be authorized to work in the U.S. without sponsorship, relocate to Waltham, and work 40 hrs/week for a 2-year fellowship.
2w
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Biological Structures Data Engineer I/II
Boston, Massachusetts, United States
$130k-$190k/yr HybridFull Time
3+ YOEPhD or equivalent experience in bioinformatics/computational biology/cheminformatics; hands-on familiarity with structural biology data (.cif/PDB); strong software engineering and Python skills; experience with data pipelines and cloud/HPC preferred.
Python, AWS, Kubernetes, HPC, .cif, PDB
2w
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Staff Scientist - College of Pharmacy
Minneapolis, Minnesota, United States
$70k-$80k/yr OnsiteFull Time
1+ YOEPhD in computational chemistry/cheminformatics/bioinformatics/biophysics or related, 1+ years research training, expertise in quantum chemistry, molecular mechanics, molecular dynamics, protein-ligand modeling, and AI/ML in drug discovery.
AlphaFold, Schr\u0000dinger, MOE
1w
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Senior Specialist, Scientific Nomenclature & Reference Data - Product
Rahway, New Jersey, United States
$117k-$184k/yr HybridFull Time
3+ YOEDegree in chemistry/biochemistry/molecular biology, 3+ years industry experience (Bachelor's+5yrs or Master's/PhD+3yrs), organic chemistry background, chemical nomenclature and cheminformatics skills, EM/data stewardship experience.
ChemDraw, ACD, Accerlys, SciFinder, STN, SQL, python, R, SMILES, InChI, MOL, SDF
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