Beast code in Giters

Han Y.B.'s repositories

Full Python code for learning RHF

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generate HPC scheduler systems jobs input scripts and submit these scripts to HPC systems and poke until they finish

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Template for using cuda with cmake

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A deep learning package for many-body potential energy representation and molecular dynamics

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Manipulating DeePMD-kit, VASP, LAMMPS data formats.

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The deep potential generator

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docker with built libtensorflow

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Idioms By Elements.

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A wrapper to run xtb inside Gaussian.

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