Pinned Repositories
autocorrelator_retired
Set of tools for manupulating SDF files and optimizing models using chemical structures
cdd_chem
g_ani
geomeTRIC
Geometry optimization code that includes the TRIC coordinate system
SDFixer
Browse SDFiles for unsanitizable molecules for manual intervention and fix
t_opt
cdd_chem
g_ani
t_opt
bgobbi's Repositories
bgobbi/autocorrelator_retired
Set of tools for manupulating SDF files and optimizing models using chemical structures
bgobbi/cdd_chem
bgobbi/g_ani
bgobbi/geomeTRIC
Geometry optimization code that includes the TRIC coordinate system
bgobbi/SDFixer
Browse SDFiles for unsanitizable molecules for manual intervention and fix
bgobbi/t_opt