I am a PhD student at Princeton University, this profile stores my scripts and software that are mostly designed to be run on Princeton's HPC clusters.
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openff-toolkit
openff-toolkit PublicForked from openforcefield/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
Python
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foyer
foyer PublicForked from mosdef-hub/foyer
A package for atom-typing as well as applying and disseminating forcefields
Python
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