Pinned Repositories
python_template
A starting template for Python programs
shapes
SolvationToolkit
In-house tools for setting up arbitrary solute-solvent mixtures for simulation in GROMACS, Amber, OpenMM or other codes
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.
camizanette's Repositories
camizanette/python_template
A starting template for Python programs
camizanette/shapes