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1. rhnet2 rhnet2 Public

   Raw quantum-chemical data as molecular graphs for graph neural networks

   Python 3

2. SolubilityChallenge2019 SolubilityChallenge2019 Public

   PureBasic

3. SolubilityChallenge2008 SolubilityChallenge2008 Public

   PureBasic

4. rhnet rhnet Public

   train and evaluate a neural network to predict gas sorbtion in polymers using the electron density

   Python 4

5. rhnet_models rhnet_models Public

   trained models for https://github.com/Shorku/rhnet