Highlights
- Pro
Pinned Loading
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grimme-lab/CENSO
grimme-lab/CENSO PublicCENSO - Commandline ENergetic SOrting of Conformer Rotamer Ensembles
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grimme-lab/MindlessGen
grimme-lab/MindlessGen PublicMindless molecule generator in a Python package.
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grimme-lab/multicharge
grimme-lab/multicharge PublicElectronegativity equilibration model for atomic partial charges
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