/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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