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1. mir-group/flare mir-group/flare Public

   An open-source Python package for creating fast and accurate interatomic potentials.

   Python 300 72

2. mir-group/nequip mir-group/nequip Public

   NequIP is a code for building E(3)-equivariant interatomic potentials

   Python 654 143

3. mir-group/pytorch_runstats mir-group/pytorch_runstats Public

   Running/online statistics for PyTorch

   Python 2 1

4. aiida-cusp aiida-cusp Public

   Forked from aiida-cusp/aiida-cusp

   Custodian based VASP Plugin for AiiDA

   Python

5. mir-group/NDSimulator mir-group/NDSimulator Public

   An open-source python code for simple N-dimensional molecular dynamics and enhanced samplings

   Python 1 1

6. mir-group/MLmtCV mir-group/MLmtCV Public

   Python