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A deep learning package for many-body potential energy representation and molecular dynamics
Python1,936 stars612 forksLGPL-3.0
aseccomputational-chemistrycppcudadeep-learningdeepmdipijaxlammpsmachine-learning-potentialmaterials-sciencemolecular-dynamicsnodejspaddlepotential-energypythonpytorchrocmtensorflow
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