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- Efficient And Fully Differentiable Extended Tight-Binding
- CENSO - Commandline ENergetic SOrting of Conformer Rotamer Ensembles
- Semiempirical Extended Tight-Binding Program Package
- Geometries of the solvMPCONF196 benchmark set https://onlinelibrary.wiley.com/doi/pdf/10.1002/jcc.27248
DipCONFS-DipCONFL
Public- Python API for the extended tight binding program package
- Modular computation tool chain library
multicharge
PublicElectronegativity equilibration model for atomic partial chargesgcp
PublicGeometrical Counter-Poise Correctionacqm
Publicptb
PublicDensity matrix (P) tight-binding (TB)PubGrep
Public- Molecular structure store for testing
- Resources for teaching quantum chemistry courses in Bonn
- Interface declarations for basic linear algebra subprograms
newspecmatch
Publiccenso-feedstock
Public