Grimme lab
Quantum chemistry software - Made in Bonn.
PinnedLoading
- crest
crest PublicForked fromcrest-lab/crest
Conformer-Rotamer Ensemble Sampling Tool based on the xtb Semiempirical Extended Tight-Binding Program Package
- dftd4
dftd4 PublicForked fromdftd4/dftd4
Generally Applicable Atomic-Charge Dependent London Dispersion Correction
Repositories
Showing 10 of 74 repositories
- tad-mctc Public Forked fromtad-mctc/tad-mctc
PyTorch Automatic Differentiation Utility for "tad" Projects.
grimme-lab/tad-mctc’s past year of commit activity