Popular repositories Loading

1. gcnn_keras gcnn_keras Public

   Graph convolutions in Keras with TensorFlow, PyTorch or Jax.

   Jupyter Notebook 115 31

2. MOF_Synthesis_Prediction MOF_Synthesis_Prediction Public

   Jupyter Notebook 36 4

3. 3DSC 3DSC Public

   Repo for the paper publishing the superconductor database with 3D crystal structures.

   Jupyter Notebook 20 5

4. ChemMatData ChemMatData Public

   An overview over chemical datasets and where to find them

   17 2

5. perovskite_htm_screening perovskite_htm_screening Public

   Code for paper "Accelerating the discovery of materials for integrated/complex device"

   Python 12 5

6. NNsForMD NNsForMD Public

   Neural network class for molecular dynamics to predict potential energy, forces and non-adiabatic couplings.

   Python 11 6