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1. ase ase Public

   Python

2. mace mace Public

   Forked from ACEsuit/mace

   MACE - Fast and accurate machine learning interatomic potentials with higher order equivariant message passing.

   Python

3. scripts scripts Public

   Python

4. ACEsuit/mace ACEsuit/mace Public

   MACE - Fast and accurate machine learning interatomic potentials with higher order equivariant message passing.

   Python 1.1k 397

5. tamm-cci/carmm tamm-cci/carmm Public

   Scripts for creation, manipulation and analysis of geometric and electronic structure of molecular models

   Python 6 18