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braceal / molecules

Machine learning for molecular dynamics.
MIT License
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Testing h5py #40

Closed braceal closed 3 years ago

braceal commented 4 years ago

write a small benchmark reading data and also load it manually from the file and compare

  1. run the pytorch data loader and then also load the samples manually from the file and do an np.array_equal

  2. if a variant can run like that for a few epochs without issues it should be fine

Test fletcher checksum with and without

braceal commented 3 years ago

Done