/tools/Conformer-Search
Conformer-Search
mcsorkun/Conformer-Search
13 stars6 forksPythonAdded February 4, 2026
summary
Conformer-Search is a workflow designed for minimum energy conformer search of molecules using force field optimization methods like UFF and MMFF94. It allows users to import molecules from SMILES, generate conformers, optimize them, and select the minimum energy conformer for further analysis.
description
A simple workflow for minimum energy conformer search based on force field optimization methods (UFF and MMFF94) available from RDKit.
topics
force-field-optimizationconformer-searchuffrdkitcheminformatics
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