molecule-builder

There are 0 repository under molecule-builder topic.

jewettaij / moltemplate
A general cross-platform tool for preparing simulations of molecules and complex molecular assemblies
molecule-builder lammps molecular-dynamics force-fields coarse-grained-molecular-dynamics molecule-editor opls amber open-science lammps-data lammps-tool lammps-script-creator
Language:Python 240
mosdef-hub / mbuild
A hierarchical, component based molecule builder
molecular-dynamics python molecular-simulation molecule-builder mbuild mosdef
Language:Python 168
qcscine / molassembler
Chemoinformatics toolkit with support for inorganic molecules
chemistry chemoinformatics conformer-generator data-structures graph-algorithms molecule molecule-builder stereochemistry
Language:C++ 29
lukasturcani / vabene
Make valid molecular graphs!
chemistry molecule-builder molecule
Language:Python 21
jewettaij / emoltemplate
A general cross-platform text-based molecule builder for ESPResSo similar to moltemplate
molecule-builder espresso molecular-dynamics force-fields coarse-grained-molecular-dynamics
1