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Releases: usnistgov/alignn

v2024.12.02

08 Jan 13:49
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  • Used a model for CHIPS-FF project

v2024.10.30

02 Dec 19:32
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  • Faster ALIGNN-FF pretrained model with radius cutoff
  • MD stability
  • Added new colab notebooks
  • Updated documentation for installation specially because of DGL GraphBolt issue

v2024.8.30

09 Sep 21:38
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  • matplotlib agg conflict fix

v2024.8.27

29 Aug 20:52
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v2024.5.27

28 Jun 03:29
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  • New default ALIGNN-FF model added

v2024.4.20

03 Jun 20:37
9841c25
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  • Added LMDB feature
  • Added distributed data parallel
  • New notebooks added

v2024.4.10

14 Apr 14:43
968a2e2
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  • Added InterMat CBM/VBM models

v2024.3.24

29 Mar 06:07
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  • Add environment.yml file for conda based GitHub actions

v2024.3.4

19 Mar 06:03
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  • Removed pytorch-ignite dependency to enable conda-forge build
  • Removed accelerate package, instead use torch.DataParallel
  • Removed train_folder.py and train_folder_ff.py, instead use train_alignn.py
  • Increase coverage by adding a phonon test

v2024.1.14

24 Jan 11:43
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