deepmodeling / deepmd-kit
git clone https://github.com/deepmodeling/deepmd-kit.git
A deep learning package for many-body potential energy representation and molecular dynamics
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LanguagePython
LicenseLGPL-3.0
Created2017-12-12 (8y ago)
Last push1d ago
OwnerOrganization
GitHub topics
aseccomputational-chemistrycppcudadeep-learningdeepmdipijaxlammpsmachine-learning-potentialmaterials-sciencemolecular-dynamicsnodejspaddlepotential-energypythonpytorchrocmtensorflow