/tools/ChemFlow

ChemFlow

IFMlab/ChemFlow

56 stars4 forksPythonAdded February 4, 2026
summary

ChemFlow is a series of computational chemistry workflows designed to automate and simplify the drug discovery pipeline. It includes functionalities for docking, rescoring, and benchmarking, allowing users to focus on analysis and decision-making.

description

Computational Chemistry Workflows

topics

computational-chemistrycomputational-sciencedockingscoring-functionsworkflowmmpbsammgbsamiddleware

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