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1. CALYPSO-GAP CALYPSO-GAP Public

   CALYPSO-GAP the machine learning potentials based Gaussian process regression for multi-species system under high pressure

   Fortran 5 2

2. StrucGAN StrucGAN Public

   The python package for generation structure of cluster and molecular using wasserstein generative adversarial network (wGAN)

   Python 1 2

3. calypso_auto_split calypso_auto_split Public

   auto run calypso split mode

   Python 2 2

4. ATCNN ATCNN Public

   Forked from xinyu1905/ATCNN

   ATCNN models

   Python

5. pymatgen pymatgen Public

   Forked from materialsproject/pymatgen

   Python Materials Genomics (pymatgen) is a robust materials analysis code that defines core object representations for structures and molecules with support for many electronic structure codes. It i…

   Propeller Spin

6. materials_analysis materials_analysis Public

   materials_analysis is a python package for materials analysis. The materials information is extracted from Materials Project.

   Python 1