Pinned Repositories
AI2BMD
AI-powered ab initio biomolecular dynamics simulation
nequip
NequIP is a code for building E(3)-equivariant interatomic potentials
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
Guackkk's Repositories
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