Pinned Repositories
smarty
SMARTS-based atom typing exploration tool
orionmdcore
openff-toolkit
The Open Forcefield Toolkit provides implementations of the SMIRNOFF format, parameterization engine, and other tools. Documentation available at http://open-forcefield-toolkit.readthedocs.io
smarty
Chemical perception tree automated exploration tool.
cbayly13's Repositories
cbayly13/smarty
SMARTS-based atom typing exploration tool