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This repository has been archived by the owner on Apr 27, 2023. It is now read-only.

Releases: materialsvirtuallab/megnet

v1.1.2

14 Apr 00:24
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v1.1.2

  • Add mvl_models in wheel release file

v1.1.1

14 Feb 19:42
fd1623b
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v1.1.0

  • Bug fix and version correction

v1.1.0

18 Dec 07:08
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v1.1.0

  • Bug fix and version correction

v1.0.3

18 Dec 06:48
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v1.0.3

  • Fix bug brought by migrating to tensorflow 2.0
  • New elasticity models trained on 2019 MP data base
  • Add meg command line tools

v1.0.1

06 Oct 22:35
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v1.0.1

  • New find_points_in_spheres algorithm in pymatgen for graph construction

v1.0.0

04 Oct 17:22
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v0.4.0

  • Tensorflow 2.0 version.

v0.3.5

30 Jul 12:34
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v0.3.4

  • Change convertor to converter in all model APIs
  • Improve ReduceLRUponNan callback function
  • @WardLT major contributions to the MolecularGraph class
  • Add serialization methods for local_env classes
  • delete data/mp.py

v0.3.3

21 May 00:10
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v0.3.3

  • GraphModel and MEGNetModel now supports a metadata tag, which is included in
    the JSON. (suggestion of @mkhorton).
  • Misc bug fixes for edge cases as well as improved error messages for
    mismatches in inputs.

v0.3.2

15 May 22:09
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v0.3.2

  • Implement the option for a scaler in models, which is used in efermi models at
    the moment but also can be helpful for extensive quantities.

v0.3.1

07 May 13:41
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v0.3.1

  • Minor fixes to setup.py and licenses.