Grimme lab
Quantum chemistry software - Made in Bonn.
- 263 followers
- University of Bonn
- https://www.chemie.uni-bonn.de/grimme/de
- @GrimmeLab
- xtb@thch.uni-bonn.de
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Showing 10 of 77 repositories
- GMTKN55 Public
Database for main group thermochemistry, kinetics and noncovalent interactions (GMTKN55)
grimme-lab/GMTKN55’s past year of commit activity - dftd4 Public Forked from dftd4/dftd4
Generally Applicable Atomic-Charge Dependent London Dispersion Correction
grimme-lab/dftd4’s past year of commit activity - molecularGSM Public Forked from ZimmermanGroup/molecularGSM
code for single-ended and double-ended molecular GSM
grimme-lab/molecularGSM’s past year of commit activity - crest Public Forked from crest-lab/crest
Conformer-Rotamer Ensemble Sampling Tool based on the xtb Semiempirical Extended Tight-Binding Program Package
grimme-lab/crest’s past year of commit activity - tad-mctc Public Forked from tad-mctc/tad-mctc
PyTorch Automatic Differentiation Utility for "tad" Projects.
grimme-lab/tad-mctc’s past year of commit activity
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