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lang-cuda

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Scindices / gromacs--gromacs

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Public/backup repository of the GROMACS molecular simulation toolkit. Please do not mine the metadata blindly; we use https://gitlab.com/gromacs/gromacs for code review and issue tracking.

status-active lang-cpp interface-cli role-framework entity-protein entity-small-molecule interface-api status-published status-packaged-conda scope-focused method-physics domain-molecular-simulation entity-trajectory interface-gpu lang-cuda task-md-engine
  • Updated Jul 29, 2026
  • C++

Scindices / deepmodeling--deepmd-kit

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A deep learning package for many-body potential energy representation and molecular dynamics

status-active lang-python lang-cpp method-deep-learning role-framework entity-small-molecule interface-api status-published status-packaged-pypi status-packaged-conda scope-focused method-physics domain-molecular-simulation entity-trajectory interface-gpu lang-cuda entity-crystal task-md-engine domain-computational-chemistry task-ml-potential
  • Updated Jul 29, 2026
  • Python

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