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This repository has been archived by the owner on Apr 27, 2023.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

Releases: materialsvirtuallab/megnet

v1.2.2

02 Oct 19:37
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v1.2.2

  • Revising plotting of multifidelity work

v1.2.1 release

28 Sep 22:41
b9d41c5
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  1. Fix molecular graph to enable flexible ring size.
  2. Fix typo

v1.2.0

07 Sep 17:09
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v1.2.0

  • Bug fix

v1.1.9

26 Aug 15:43
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v1.1.9

  • Add multi-fidelity model examples
  • Add sample weights for model training
  • Add default optimizer gradient norm clip

v1.1.8

03 Jun 00:59
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v1.1.8

  • Bug fix of megnet descriptors

v1.1.7

27 May 23:57
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v1.1.7

  • Update the model training mechanism and move Gaussian expansion to tensorflow, training speed up 100%

v1.1.6

26 May 21:44
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v1.1.6

  • minor fix to include more linear readout option
  • add data type control
  • refactor local_env

v1.1.5

15 May 23:35
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v1.1.5

  • Code refactor and reformat
  • Fix tensorflow and numpy type compatibility issues

v1.1.4

15 Apr 01:45
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v1.1.4

  • Update to tensorflow.keras API instead of using keras

v1.1.3

14 Apr 01:49
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v1.1.3

  • Download mvl_models from figshare if not present