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1. materialyzeai/m3gnet materialyzeai/m3gnet Public archive

   Materials graph network with 3-body interactions featuring a DFT surrogate crystal relaxer and a state-of-the-art property predictor.

   Python 307 73

2. materialyzeai/megnet materialyzeai/megnet Public archive

   Graph Networks as a Universal Machine Learning Framework for Molecules and Crystals

   Jupyter Notebook 549 160

3. materialyzeai/maml materialyzeai/maml Public

   Python for Materials Machine Learning, Materials Descriptors, Machine Learning Force Fields, Deep Learning, etc.

   Jupyter Notebook 445 94

4. materialyzeai/snap materialyzeai/snap Public archive

   Repository for spectral neighbor analysis potential (SNAP) model development.

   AMPL 37 18