/tools/FMol
FMol
garywei944/FMol
17 stars2 forksPythonAdded February 8, 2026
summary
FMol is a simplified drug discovery pipeline that generates SMILE molecular representations using AlphaSMILES, predicts protein structures with AlphaFold, and evaluates druggability using fpocket and Amber. It integrates various molecular modeling techniques to facilitate drug discovery processes.
description
A simplified drug discovery pipeline -- generating SMILE molecular with AlphaSMILES, predicting protein structure with AlphaFold, and checking the druggability with fpocket/Amber.
topics
proteinalphafoldfpocketdrug-discovery
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