3rd year graduate student at the Center for Computational Quantum Chemistry at the University of Georgia
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optavc
optavc PublicForked from CCQC/optavc
Parallel finite difference optimization and hessians from arbitrary single point energies
Python
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PES-Learn
PES-Learn PublicForked from CCQC/PES-Learn
Automated Generation of Machine Learning Models of Molecular Potential Energy Surfaces
Python
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