Popular repositories Loading

1. chemtorch chemtorch Public

   Modular deep learning framework for chemical reactions 🧪🔥

   Python 72 5

2. goflow goflow Public

   Python 18 2

3. sr-smiles sr-smiles Public

   A library for transforming chemical reactions into superimposed reaction (sr) SMILES representations for sequence-based ML tasks.

   Python 13 1

4. reaction_database reaction_database Public

   collection of different reaction databases

   12 2

5. fkflow fkflow Public

   Research code for FKFlow Paper

   Jupyter Notebook 12 1

6. motsart motsart Public

   Accelerating Automated Transition State Search with Generative Models in a Low-Data Regime

   Python 5