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PROTACable
PROTACable PublicPROTACable is an end-to-end in-silico design toolkit for novel PROTACs
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Consensus_Docking
Consensus_Docking PublicConsensus the docking poses of up to five docking programs
Python 5
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Force-Energy-QM-calculator-for-proteins-and-ligands-MD
Force-Energy-QM-calculator-for-proteins-and-ligands-MD PublicCan we create a fast ML-trained QM-based energy/force calculator for proteins and ligand systems?
Python 2
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G-SchNet
G-SchNet PublicForked from atomistic-machine-learning/G-SchNet
G-SchNet - a generative model for 3d molecular structures
Python 1
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