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1. Min_Dist_Matrix_Rep Min_Dist_Matrix_Rep Public

   This is the accompanying GitHub for the paper "Can Deep Learning Blind Docking Methods be used to Predict Allosteric Compounds?"

   Jupyter Notebook 5

2. DiffDock-Fine-Tune DiffDock-Fine-Tune Public

   Forked from gcorso/DiffDock

   Implementation of DiffDock: Diffusion Steps, Twists, and Turns for Molecular Docking with Distributed Data Parallel

   Python

3. SongXia-NYU/drug_discovery_perspective SongXia-NYU/drug_discovery_perspective Public

   Roff 7

4. echen1214.github.io echen1214.github.io Public

   Eric Chen's Personal Website

   HTML

5. ml-simplefold-rc ml-simplefold-rc Public

   Forked from apple-aiml-research/ml-simplefold

   Python