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TorchANI 2.2

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@zasdfgbnm zasdfgbnm released this 05 Aug 07:25
· 71 commits to master since this release
2fcc648
  • unique_consecutive is now supported by TorchScript, so the workaround for it is removed from TorchANI (#471)
  • Added missing dependency requests (#486)
  • torchani.data now allow using custom padding values (#489)
  • Updated TorchANI paper information (#494, #506)
  • Remove Python 2.7 style super, this is known to have issues on some Python build (#496)
  • Fix torchani.data for returning species with wrong dtype (#502)
  • Fixes the uninstall of pip (#500)
  • Source tarballs will also be distributed to PyPI (#508)
  • Improvements on unit tests and other maintainability related issue (#487, #488, #490, #491, #493, #495)