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1. genbench3d genbench3d Public

   Benchmarking deep learning models generating molecules in 3D

   Jupyter Notebook 12 1

2. bioactive_conformation_predictor bioactive_conformation_predictor Public

   Applying atomistic neural networks to bias conformer ensemble towards bioactive-like conformations

   Python 3 1

3. target_prediction_L1000_signatures target_prediction_L1000_signatures Public

   This repository store the code used for the Frontiers in Chemistry publication : https://doi.org/10.3389/fchem.2020.00296.

   Jupyter Notebook 3 1