schnetpack

There are 0 repository under schnetpack topic.

• Asif-Iqbal-Bhatti / SchNetModel1.0_on_MaterialProjectDatabase

  SchNetPack Model on Material Project Database

  learningmachinematerialsprojectschnetpack
  Language:Python 0

• CompPhotoChem / SPaiNN

  Combining SchNet, PaiNN and SHARC – Bridging the Gap between Machine Learning and Photoinduced Dynamics

  excited-statesmachine-learningmolecular-dynamics-simulationneural-networkphotochemistryschnetpack
  Language:Jupyter Notebook