ExcitedStates / qfit-3.0

qFit: Automated and unbiased multi-conformer models from X-ray and EM maps.
MIT License
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Future enhancement for qFit ligand #397

Open jessicaflowers opened 5 months ago

jessicaflowers commented 5 months ago

Run RDKit conformer generation in parallel

https://iwatobipen.wordpress.com/2024/01/27/run-conformer-generation-in-parallel-rdkit-cheminformatcs-lig3dlens/