/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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