Results
11
repositories owned by
Grimme lab
xtb
535
Stars
136
Forks
Watchers
Semiempirical Extended Tight-Binding Program Package
xtb-python
96
Stars
29
Forks
Watchers
Python API for the extended tight binding program package
dftd4
18
Stars
4
Forks
Watchers
Generally Applicable Atomic-Charge Dependent London Dispersion Correction
nlopt-f
28
Stars
7
Forks
Watchers
Fortran bindings for the NLopt library
qc2-teaching
30
Stars
12
Forks
Watchers
Resources for teaching quantum chemistry courses in Bonn
stda
26
Stars
13
Forks
Watchers
stda program for computing excited states and response functions via simplified TD-DFT methods (sTDA, sTD-DFT, and SF-sTD-DFT)
xtb_docs
34
Stars
35
Forks
Watchers
CENSO
22
Stars
10
Forks
Watchers
CENSO - Commandline ENergetic SOrting of Conformer Rotamer Ensembles
xtb4stda
16
Stars
10
Forks
Watchers
sTDA-xTB Hamiltonian for ground state
mctc-lib
15
Stars
15
Forks
Watchers
Modular computation tool chain library