molecule-builder

There are 5 repositories under molecule-builder topic.

jewettaij/moltemplate
A general cross-platform tool for preparing simulations of molecules and complex molecular assemblies
Language:Python246 15 5896
mosdef-hub/mbuild
A hierarchical, component based molecule builder
Language:Python170 21 47079
qcscine/molassembler
Chemoinformatics toolkit with support for inorganic molecules
Language:C++29 6 147
lukasturcani/vabene
Make valid molecular graphs!
Language:Python21 2 04
jewettaij/emoltemplate
A general cross-platform text-based molecule builder for ESPResSo similar to moltemplate
1 2 0