Find jobs in AI/ML, Data Science and Big Data
15 results
for LAMMPS
(Skill/Tech stack)
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Autodock Vina | CREST | GNINA | GROMACS | LAMMPSFreelance project-based work | Part-time hoursSenior-level FreelanceBrazil - Remote R1d ago
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Autodock Vina | CREST | GNINA | GROMACS | LAMMPSEnglish CV requirement | Part-time availability | Project based workSenior-level FreelanceUnited Kingdom - Remote R1d ago
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Autodock Vina | CREST | GNINA | GROMACS | LAMMPSFlexible hours | Project based work | Remote work opportunitiesSenior-level FreelanceGermany - Remote R1d ago
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Research Scientist, AI Research USD 116K-182K3D Machine Learning | ADMET Prediction | Affinity prediction | All Atom Molecular Dynamics | BBB PredictionMid-level Full TimeUSA - MA - Cambridge, United …2d ago
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Senior Scientist I Computational Chemistry USD 106K-202KADMET | Artificial Intelligence | Atomistic modeling | C plus plus | Computer Modeling401k | Dental insurance | Health insurance | Paid time off | Vision insuranceSenior-level Full TimeNorth Chicago, IL, United States R2d ago
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2026 New College Grad - Computational Chemist / Materials Scientist (Machine Learning – Reactive MLIPs) - Doctorate Degree USD 138K-190KASE | Active Learning | AiiDA | Atomistic modeling | Bayesian MethodsEmployee development programs | Full-time position | HPC access | Relocation assistance | Travel opportunitiesNone Full TimeSanta Clara,CA, United States3d ago
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3D conformers | ASE | Agent systems | Alignment | Autoregressive modelsMid-level Full TimePasadena, CA3d ago
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Autodock Vina | Basis sets | Conda | Convergence thresholds | Density Functional TheoryFlexible schedule | Project based work | Remote workMid-level FreelanceSouth Africa - Remote R9d ago
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Autodock Vina | Basis set | CREST | Docking | Force FieldFlexible scheduling | Project based workSenior-level FreelanceIndia - Remote R9d ago
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Autodock Vina | CREST | GNINA | GROMACS | LAMMPSFlexible schedule | Part-time project workSenior-level FreelanceUnited Kingdom - Remote R9d ago
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Autodock Vina | Basis set | Force Field | GNINA | GROMACSPart-time hours | Project based workSenior-level FreelanceGermany - Remote R9d ago
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ASE | Agent systems | Cheminformatics | Computational Chemistry | GaussianEntry-level Full TimeRedmond, WA | Pasadena, CA19d 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, Netherlands24d ago
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AI Engineer - AI+CryoET USD 96K-299K3D image analysis | Ablation Studies | Analysis By Synthesis | AreTomo | CTF CorrectionHealth benefits | Oncampus Housing | Onsite childcare | Onsite gym | Paid time offSenior-level Full TimeJanelia Research Campus, United States1mo ago
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Data Scientist/Digitalization Engineer – Materials & Processe INR 2500K-3100KABAQUS | ANSYS | Advanced DoE | Apps Script | Data integrationProfessional trainingSenior-level Full TimeBangalore (Airbus), India1mo ago