ChemistryAtlas Software and Tool

CREST

Quantum chemistry enginesOpen/freechemistry softwareconformer searchensemble samplingxTBmetadynamics

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Conformer-rotamer ensemble sampling tool built around xTB and metadynamics workflows.

Primary category: Quantum chemistry engines.
Access model: Open/free.
Curated because it is commonly encountered in chemistry research, teaching, analysis, or computational workflows.

Citation: Software resource: CREST

TypeSoftware and Tool

DomainQuantum chemistry engines

LicenseOpen/free

ContributorsNot specified