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SevenNet - a graph neural network interatomic potential package supporting efficient multi-GPU parallel molecular dynamics simulations.
Python 273 59
SIMPLE-NN(SNU Interatomic Machine-learning PotentiaL packagE – version Neural Network)
Python 48 22
C++ 44 16
Python 22 11
Metadynamics code on the G-space.
Python 16 5
SPINNER (Structure Prediction of Inorganic crystals using Neural Network potentials with Evolutionary and Random searches)
C++ 15 3
data or scripts for SevenNet tutorials
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