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2nd PhD student in UCBerkeley. Interested in various topics in theoretical & computational chemistry, such as force field development, ML in Chem etc.
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University of California, Berkeley
- Berkeley, CA
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deepmodeling/deepmd-kit
deepmodeling/deepmd-kit PublicA deep learning package for many-body potential energy representation and molecular dynamics
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deepmodeling/DMFF
deepmodeling/DMFF PublicDMFF (Differentiable Molecular Force Field) is a Jax-based python package that provides a full differentiable implementation of molecular force field models.
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