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Releases: ur-whitelab/nmrgnn

v0.7

31 Aug 04:21
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  • Fixed progress bar closing and added emojis (@ziyueyang37!)
  • Fixed MDAnalysis change in element misidentification

v0.6

27 Aug 00:28
8856b20
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Bumped version to MDAnalysis 2.0

v0.5

23 Aug 05:27
a29fc12
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  • Pinned MDAnalysis until we can figure out why it is breaking
  • Added info about GPUs

v0.4

19 Aug 15:52
fed273e
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  • Added progress bar

v0.3

16 Aug 04:26
a4079f0
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  • Added ability to parse trajectories
  • Packaged for pypi

v0.2

22 Jul 23:56
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  • Made model accessible from python
  • pinned dependencies to prevent install errors
  • Updated docs

v0.1

29 Apr 18:44
e396d1e
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Initial release