Popular repositories Loading

1. div_rank div_rank Public

   This the code for the diversity picking algorithm describes in Schuffenhauer, A. et al. Evolution of Novartis' small molecule screening deck design, J. Med. Chem. (2020), DOI. https://dx.doi.org/10…

   Python

2. ChemFold ChemFold Public

   Forked from melloddy/ChemFold

   ChemFold provides several methods for computing train-validation-test splits, both in federated and non-federated (ordinary) ML settings.

   Python

3. MELLODDY-TUNER MELLODDY-TUNER Public

   Forked from melloddy/MELLODDY-TUNER

   Python

4. MELLODDY-Predictor MELLODDY-Predictor Public

   Forked from melloddy/MELLODDY-Predictor

   Python