carbonsilicon-ai

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1. CarsiDock CarsiDock Public

   Official repo of "CarsiDock: a deep learning paradigm for accurate protein–ligand docking and screening based on large-scale pre-training" proposed by CarbonSilicon AI.

   Python 119 15

2. AutoDock-Vina AutoDock-Vina Public

   Forked from ccsb-scripps/AutoDock-Vina

   AutoDock Vina

   C++ 2

3. x-transformers x-transformers Public

   Forked from lucidrains/x-transformers

   A simple but complete full-attention transformer with a set of promising experimental features from various papers

   Python 1

4. PyAutoFEP PyAutoFEP Public

   Forked from luancarvalhomartins/PyAutoFEP

   PyAutoFEP: an automated FEP workflow for GROMACS integrating enhanced sampling methods

   Python 1 2

5. CarsiChemIE CarsiChemIE Public

   Jupyter Notebook