Pinned

1. materialsvirtuallab/m3gnet Public

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

   Python 137 37

2. materialsvirtuallab/megnet Public

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

   Jupyter Notebook 434 134

3. materialsvirtuallab/maml Public

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

   Python 222 54

4. materialsvirtuallab/snap Public archive

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

   AMPL 29 17