Popular repositories Loading

1. optuna optuna Public

   Forked from optuna/optuna

   A hyperparameter optimization framework

   Python 1

2. deepchem deepchem Public

   Forked from deepchem/deepchem

   Democratizing Deep-Learning for Drug Discovery, Quantum Chemistry, Materials Science and Biology

   Python

3. SchNet SchNet Public

   Forked from atomistic-machine-learning/SchNet

   SchNet - a deep learning architecture for quantum chemistry

   Python

4. neural-fingerprint neural-fingerprint Public

   Forked from HIPS/neural-fingerprint

   Convolutional nets which can take molecular graphs of arbitrary size as input.

   TeX

5. pygcn pygcn Public

   Forked from tkipf/pygcn

   Graph Convolutional Networks in PyTorch

   Python

6. cnn_graph cnn_graph Public

   Forked from mdeff/cnn_graph

   Convolutional Neural Networks on Graphs with Fast Localized Spectral Filtering

   Jupyter Notebook