Find jobs in AI/ML, Data Science and Big Data
25 results
for Molecular Modeling
(Skill/Tech stack)
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Active Learning | Agentic AI | Bayesian optimization | Benchmarking | Diffusion Models401k plan | Employee Assistance Programs EAP | Flexible time off | Life insurance | Paid time offSenior-level Full TimeSan Diego Campus Point - CA, …5d ago
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Senior Scientist, Computational Chemistry USD 137K-172KCheminformatics | Co-folding | De Novo | De novo molecular design | MMGBSA401k matching | Flexible spending account | Health insurance | Onsite gym | Uncapped vacationSenior-level Full TimeSan Diego HQ12d ago
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Atom Level Modeling | CDK | ChemProp | Cheminformatics | Computational ChemistryCross time zone collaboration | Equity participation | Flexible work schedule | Remote workMid-level Full TimeUnited Kingdom - Remote R14d ago
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Senior Principal Research Scientist, Computational Drug Discovery Optimization Team Lead USD 177K-336KCheminformatics | Data Science | Drug Discovery | Drug design | Ligand docking401k | Dental insurance | Health insurance | Long-term incentive program | Paid time offExecutive-level Full TimeNorth Chicago, IL, United States18d ago
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Lead Scientific Developer – Biologics & Protein Design USD 125K-218K3D Modeling | AI | Deep learning | Machine Learning | Molecular DynamicsSenior-level Full TimeSANTA FE 01, United States18d ago
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Principal Chemist USD 85K-128KCheminformatics | Data Curation | Data Pipelines | Data cleaning | Density Functional TheorySenior-level Full TimeUSA-Eagan Schuman Campus, United States20d ago
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Principal Scientist, Machine Learning, Biomolecules USD 208K-286K3D structure modeling | ADMET | AWS Batch | AWS ECS | AWS EKSAnnual incentive plan | Company-provided benefits | Health insurance | Retirement benefitsSenior-level Full TimeCambridge, MA USA21d ago
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ML Engineer (Binding) GBP 74K-100KAWS | Azure | Cloud Computing | Computational Drug Discovery | Deep learningCycle to work scheme | Option plan | Pension scheme | Private medical insurance | Remote WorkingSenior-level Full TimeLondon, England, United Kingdom21d ago
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Bioinorganic Chemistry | Computational Chemistry | Molecular Modeling | Physical chemistry | QM/MMConference funding | Summer school funding | Workshop fundingEntry-level Full TimeOdense M, Denmark22d ago
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Computational Chemistry/Cheminfomatics Intern CNY 38K-50KConformational sampling | Density Functional Theory | Machine Learning | Machine learning potentials | Molecular FragmentationEntry-level Full Time InternshipSHANGHAI, China25d ago
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Head of Computational Drug Design, Cambridge, MA USD 230K-280KADC | ADMET | Active Learning | Artificial Intelligence | CheminformaticsHybrid working | Inclusion-focused culture | Professional developmentExecutive-level Full TimeCambridge, MA R26d ago
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Principal Scientist, Computational Chemistry USD 202K-236KActive Learning | Alphafold | Cheminformatics | Cloud Computing | Computational ChemistrySenior-level Full TimeSSF, United States26d ago
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Computational Chemistry Senior Research Scientist USD 125K-188KADME modeling | Cheminformatics | Data Analysis | Data Mining | Free energy401k matching | Annual bonus | Annual equity awards | Charitable donation matching | Commuting subsidySenior-level Full Time5005 - Vertex US - San … R29d ago
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Computational Chemist INR 700K-900KAb Initio | C# | ChemProp | Density Functional Theory | Feature EngineeringMid-level Full TimeBangalore,IND, India29d ago
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ADMETox | Cheminformatics | Cloud Computing | Data Analysis | Data VisualizationSenior-level Full TimeRedwood City, California, United States1mo ago
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Senior Scientist, Machine Learning (Biologics Design) USD 169K-219KActive Learning | Amber | Antibody engineering | Bayesian optimization | CHARMMCompany sponsored medical insurance | Company-sponsored dental insurance | Company-sponsored life insurance | Company-sponsored vision insurance | Paid time offSenior-level Full TimeUS - CA - Foster City, …1mo ago
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Amber | Bash | C# | GROMACS | High PerformanceRelocation benefitsSenior-level Full TimeSouth San Francisco, United States1mo ago
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ADMET | Cheminformatics | Chemoinformatics Databases | Ligand screening | Machine Learning401k | Catered meals | Company events | Dental insurance | Flexible work scheduleMid-level Full TimeNew York1mo ago
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Research Scientist Intern - Computational Biology (Seed AI-for-Science) - 2026 Start (PhD) USD 115K-237KBioinformatics | C++ | CryoEM | Docking | Generative ModelingDay-one benefits | Health insurance | Life insurance | Open science opportunities | Paid HolidaysEntry-level InternshipSeattle, Washington, United States1mo ago
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Amber | CHARMM | Deep learning | Diffusion Models | Geometric Deep LearningSenior-level Full TimeNew York, United States1mo ago
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Biological Data | Biological data analysis | Computational Biology | DNA library design | Data AnalysisAcademic freedom | Collegial respect | International research environmentNone Full TimeKgs. Lyngby, Denmark1mo ago
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Postdoc in Computational Molecular Design of Mixed Matrix Membranes - DTU Chemical Engineering DKK 433K-433KAtomistic models | Coarse grained models | Computational Chemistry | Field development | Force FieldAcademic conference support | Academic freedom | Collegial respect | International work environmentEntry-level Full TimeKgs. Lyngby, Denmark1mo ago
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Computational Chemistry | MATLAB | Molecular Modeling | NumPy | Numerical MethodsFlexible schedule | Part-time project work | Project based workSenior-level Full TimeUnited States - Remote R1mo ago
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Materials Science Applications Scientist EUR 65K-65KClassical molecular dynamics | Coarse Grained Modeling | Machine Learning | Mechanical modeling | Molecular DynamicsBahncard 50 | Bike leasing | Corporate counseling service | Donation match program | EGYM WellpassSenior-level Full TimeMannheim1mo ago
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Ingénieur F/H en bioinformatique structurale EUR 35K-35KMachine Learning | Molecular Modeling | Python | Stochastic ModelingAccess to specialized hardware | Collaborative research environmentMid-level Full TimeCompiègne, Hauts-de-France, France1mo ago