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1. FourierFormer FourierFormer Public

   Forked from rfhari/fourier_attention_mace

   Fourier Attention for Long-range physics with MACE

   Python

2. matgl_local matgl_local Public

   Forked from materialyzeai/matgl

   Graph deep learning library for materials

   Python

3. CPP-Tools CPP-Tools Public

   Some C++ Tools For Analysis of MD Trajectories

   C++

4. TrajectoryAnalysisTools TrajectoryAnalysisTools Public

   Python

5. matcalculator matcalculator Public

   Forked from materialyzeai/matcalc

   A python library for calculating materials properties from the PES

   Python

6. pymatgen pymatgen Public

   Forked from materialsproject/pymatgen

   Python Materials Genomics (pymatgen) is a robust materials analysis code that defines classes for structures and molecules with support for many electronic structure codes. It powers the Materials …

   Python