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1. Deep-Drug-Coder Deep-Drug-Coder Public

   Forked from pcko1/Deep-Drug-Coder

   A tensorflow.keras generative neural network for de novo drug design, first-authored in Nature Machine Intelligence while working at AstraZeneca.

   Python 1

2. deepHops deepHops Public

   Forked from prokia/deepHops

   source code for deppHop

   Python 1

3. Solubility_Prediction_GCN Solubility_Prediction_GCN Public

   Forked from mhlee216/Solubility_Prediction_GCN

   Code for "Novel Solubility Prediction Models: Molecular Fingerprints and Physicochemical Features vs Graph Convolutional Neural Networks" (https://doi.org/10.1021/acsomega.2c00697)

   Python 2

4. chemprop chemprop Public

   Forked from chemprop/chemprop

   Message Passing Neural Networks for Molecule Property Prediction

   Python

5. DeLinker DeLinker Public

   Forked from oxpig/DeLinker

   Python

6. GENTRL GENTRL Public

   Forked from insilicomedicine/GENTRL

   Generative Tensorial Reinforcement Learning (GENTRL) model

   Python