Popular repositories Loading

1. DEBRIS DEBRIS Public

   Forked from CHENChunlai-CN/DEBRIS

   Deep learning model based local feature classification to automatically identify single molecule fluorescence events.

2. FLAME FLAME Public

   Forked from ChemloverYuchen/FLAME

   Python

3. chemprop chemprop Public

   Forked from chemprop/chemprop

   Message Passing Neural Networks for Molecule Property Prediction

   Python

4. REINVENT4 REINVENT4 Public

   Forked from MolecularAI/REINVENT4

   AI molecular design tool for de novo design, scaffold hopping, R-group replacement, linker design and molecule optimization.

   Python

5. DrugEx DrugEx Public

   Forked from CDDLeiden/DrugEx

   De Novo Drug Design with RNNs and Transformers

   Jupyter Notebook

6. ABT-MPNN ABT-MPNN Public

   Forked from LCY02/ABT-MPNN

   An atom-bond transformer-based message passing neural network for molecular property prediction.

   Python