Mariewelt
commented
4 years ago - Updated code to be compatible with latest PyTorch version 1.7
- Added MolecularRNN graph generative model https://arxiv.org/pdf/1905.13372.pdf
- Added utility for property optimization with reinforcement learning
- Added simply multilayer perception model
- Added Siamese model with 2 input heads for SMILES strings
- Updated example configs
- Fixed multiple bugs and typos across the project