crest
Conformer-Rotamer Ensemble Sampling Tool based on the xtb Semiempirical Extended Tight-Binding Program Package
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Summary
Conformer-Rotamer Ensemble Sampling Tool based on the xtb Semiempirical Extended Tight-Binding Program Package
Last Updated
Aug 5, 2025 at 20:35
License
LGPL-3.0-or-later
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0
GitHub Repository
https://github.com/crest-lab/crestDocumentation
https://crest-lab.github.io/crest-docs/