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1. reindeer_software reindeer_software Public

   REINDEER: Protein-Ligand Feature Generator Software

   Python 2

2. hca_ml hca_ml Public

   Predict Activity of Human Carbonic Anhydrase

   Python 1

3. uncertainty_quantification uncertainty_quantification Public

   Uncertainty in Binding Affinity: A Deep Learning Benchmark

   Python

4. ENS_Score ENS_Score Public archive

   ENS-Score is machine learning-based scoring function, which applies a probabilistic approach to estimate protein-ligand binding affinity.

   Jupyter Notebook 3 2

5. ENS_SCORE_GUI ENS_SCORE_GUI Public archive

   A graphical user interface (GUI) and web application to facilitate the usage of ENS-Score.

   Python

6. addzyme addzyme Public archive

   Additive Effects on Enzyme Activity Predictor

   Jupyter Notebook 2