Find jobs in AI/ML, Data Science and Big Data
44 results
for Molecular Dynamics
(Skill/Tech stack)
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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 HQ1d ago
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ADMET Prediction | Benchmarking | Biological Data | Biological Data Standardization | Chemical DataSenior-level Full TimeLyon, Auvergne-Rhône-Alpes, France2d ago
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Computational Polymer Chemist EUR 67K-88KBiopolymer | Data Engineering | Data Science | Database Management System | Deep learningBridge days | Employee Choice Budget | Time off | Vacation daysMid-level Full TimeLeiden, Netherlands4d ago
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Scientist, Computational Chemistry GBP 75K-101KABFE | ADMET | AWS | Alchemical transformations | AmberSenior-level Full TimeUnited Kingdom - Remote R4d ago
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Sr/Principal Scientist, Computational Chemistry USD 137K-190KAffinity prediction | Binding Affinity Prediction | Cheminformatics | Co-folding | Computational Chemistry401k matching | Company paid healthcare | Dining | Flexible spending accounts | Onsite gymSenior-level Full TimeSan Diego HQ4d ago
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Genome Editing Scientist--Bioinformatics USD 94K-141KATAC-seq | Amplicon sequencing | CRISPR-Cas | Chromatin Accessibility | Data VisualizationDental | Health care | Paid time off | Retirement | Sick leaveMid-level Full TimeChesterfield, Missouri, US6d 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 States7d 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 States8d ago
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Lead Scientific Developer – Biologics & Protein Design USD 125K-218KAmazon Web Services | Biochemistry | C++ | Cloud Computing | Computational ChemistrySenior-level Full TimeSANTA FE 01, United States8d ago
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Senior Scientist, Computational Chemist GBP 50K-64KADMET | AWS | Active Learning | Amber | Cheminformatics28 days annual leave plus bank holidays | Cycle to work scheme | Employee assistance program | Employee recognition schemes | Employer pension contributionSenior-level Full TimeCambridge, England, United Kingdom8d ago
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Scientific Software Developer II – Modeler USD 130K-200K2D Cheminformatics | 3D QSAR | Binding free energy | C plus plus | Data AnalysisMid-level Full TimeSANTA FE 01, United States9d ago
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Scientific Software Developer II – Modeler USD 130K-200K3D QSAR | Binding Free Energy Calculations | Binding free energy | Cheminformatics | Deep learningMid-level Full TimeSANTA FE 01, United States9d 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 States10d ago
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Principal Computational Chemist EUR 65K-85KADMET | ADMET modeling | CCDC | Cheminformatics | Drug designFlexible work arrangements | Remote work up to two days per week | Visa sponsorshipSenior-level Contract Full TimeParis15d ago
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Principal Scientist, Computational Chemistry USD 202K-236KActive Learning | Alphafold | Cheminformatics | Cloud Computing | Computational ChemistrySenior-level Full TimeSSF, United States16d ago
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AI/ML Scientist USD 120K-200KAutoregressive models | Cloud Computing | Computational Biology | Data Engineering | Deep learningOn-site work | Relocation supportMid-level Full TimeBoston, MA or San Francisco, CA18d 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 … R19d ago
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Computational Chemist INR 700K-900KAb Initio | C# | ChemProp | Density Functional Theory | Feature EngineeringMid-level Full TimeBangalore,IND, India19d ago
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Computational Materials Scientist USD 60K-82KComputational materials engineering | Computational thermodynamics | Crystal plasticity | Data Visualization | Density Functional TheoryHybrid workSenior-level Full TimeDevens, MA20d ago
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Senior Scientist I, Computational Chemistry USD 149K-186KBash | C# | Cheminformatics | Computational Chemistry | Data ScienceSenior-level Full TimeRedwood City, California, United States21d ago
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Computational Materials Scientist, Modeling Services USD 120K-145KBash | High Performance | High-Performance Computing | Linux | Molecular Dynamics401k | Catered meals | Commuter benefits | Dental/vision | Flexible work scheduleMid-level Full TimePortland24d ago
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Principal Machine Learning Scientist USD 123K-185KData Analysis | Deep learning | Dimensional data | Generative Models | High Dimensional DataDental insurance | Healthcare | Paid time off | Retirement benefits | Sick leaveSenior-level Full TimeCambridge, Massachusetts, US24d ago
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Artificial Intelligence | Biophysical characterization | Data Analysis | Dimensional data | High Dimensional DataAbility to take Dartmouth courses | J1 visa sponsorship | Tuition paid for coursesEntry-level Full TimeHanover, NH25d ago
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Senior Data Scientist GBP 53K-53KComputational modeling | Conformational free energy landscapes | Conformational heterogeneity | Cryo-EM | CryoSPARCAnnual leave | Back up care for dependents | Bike to work scheme | Career development support | Childcare supportSenior-level Full TimeLondon, United Kingdom25d ago
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Amber | Bash | C# | GROMACS | High PerformanceRelocation benefitsSenior-level Full TimeSouth San Francisco, United States30d ago
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Senior Research Scientist, Fundamental Generative AI USD 192K-304KC++ | CUDA | Deep learning | Generative AI | Molecular DynamicsSenior-level Full TimeUS, CA, Santa Clara, United States30d ago
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Computational Materials Scientist INR 800K-1133KAb Initio | C# | ChemProp | Density Functional Theory | FortranMid-level Full TimeBangalore,IND, India1mo 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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Computational Chemist - Postdoctoral Researcher USD 118K-118KC++ | Data Analysis | Data Visualization | High Throughput | High Throughput Screening401k | Domestic travel | Education reimbursement program | Flexible schedules | Relocation assistanceEntry-level Full TimeLivermore, CA, United States1mo ago
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Assistant Professor (non‑tenured) in Computational Drug Design at the University of Southern Denmark (SDU), Odense DKK 540K-540KComputational drug design | Computer Aided Drug Discovery | Drug Discovery | Drug Transport | Drug TransportersMid-level Full TimeOdense M, Denmark1mo ago
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Research Advisor, Computational Chemistry USD 136K-185KADME | AM1 BCC | Ab Initio | Artificial Intelligence | CheminformaticsSenior-level Full TimeUnited States - Remote R1mo ago
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Research Advisor, Computational Chemistry INR 2500K-4225KAM1 BCC | Ab Initio | Artificial Intelligence | Cheminformatics | Cloud ComputingSenior-level Full TimeIndia - Remote R1mo 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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Amber | Bash | CPPTRAJ | Double Decoupling | FEPCareer development opportunities | Free breakfast daily | Group exercise classes | Onsite gym access | Recognition for National Intern DayEntry-level Full Time5005 - Vertex US - San …1mo ago
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Active Learning | Bayesian optimization | Coarse Grained Modeling | Computer Vision | Data Pipelines401k eligibility | Employee assistance program | Health and wellness benefits | Paid Holidays | Paid parental leaveSenior-level Full TimeMentor, OH, United States1mo 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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Artificial Intelligence | Binding Affinity Calculation | Compound design | Data Science | Drug DiscoveryChildcare support | Coaching and mentoring | Daycare centers | Flexible time off | Health checksSenior-level Full TimeWuppertal-Aprath, North Rhine Westfalia, DE1mo ago
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C# | C++ | Crystal plasticity | Data Analysis | Dislocation dynamics401k | Education reimbursement program | Flexible benefits package | Flexible schedules | Relocation assistanceEntry-level Full TimeLivermore, CA, United States1mo ago
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Coordination Number | Diffusion Coefficient | Field development | Force Field | Force field developmentRemote work | Training and mentorshipEntry-level InternshipJapan1mo ago
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C++ | Data Analysis | Dislocation Simulation | High Performance | High-Performance ComputingBenefits package | Education reimbursement | Flexible schedules | Relocation assistanceEntry-level Full TimeLivermore, CA, United States1mo ago
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Ingénieur(e) en Bioinformatique EUR 48K-55KBash | C++ | Data Visualization | Database Management | DockingSenior-level Full TimeParis, France1mo ago
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ADME-Tox | AI workflows | AWS | Docking | FEPHealth insurance | Incentives | Paid Holidays | Profit sharing | Provident insuranceSenior-level Full TimeFrance - Toulouse - Langlade1mo ago
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Bayesian optimization | Computational Chemistry | De Novo | De novo drug design | Deep learning401k | Dental | Medical | Paid sick leave | VisionSenior-level ContractSouth San Francisco, United States1mo ago