77 Repositories
propka
285
xyz2mol
262
molcalc
86
GB_GA
85
GB-GM
23
protonator
16
fragbuilder
14
RegioSQM
11
mbh_catalyst_ga
10
ESNUEL
10
atom_mapper
10
propka-3.0
9
compute_pka
9
take_elementary_step
8
molstat
8
FP_RF_XAI
8
get_conformations
7
AutomatedReactionsMetaMD
7
UQ_validation_methods
6
String-GA
6
RegioML
6
ReactionDiscovery
6
pKalculator
6
mol_gen
6
GA_ChemSpace_exploration
6
xyz2mol_tm
5
tmcat-design
5
RegioSQM20
5
RMSD_PP_TS
4
molget
4
MBH_CatalystDiscovery
4
HeckQM
4
dha_htvs
4
db-enzymes
4
xtb_gaussian
3
TS_conf_search
3
statsig
3
smiles2coord
3
procs
3
molcalc-1.3
3
fragreact
3
SI_RegioSQM20
2
protonate
2
procs15
2
optimized-protein-structures
2
GED
2
GA_schrock
2
ESNUEL_ML
2
CHSQM
2
xyz2sdf
1