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@BowenD-UCB BowenD-UCB released this 23 Oct 02:01
· 104 commits to main since this release

0.3.0 version: Improved pretrained weights released

We release the most recent pretrained model: CHGNet 0.3.0 🎉 (see details)
CHGNet.load() now defaults to '0.3.0' version.

Major changes:

  1. Increased AtomGraph cutoff to 6A #55
  2. Resolved discontinuity issue when no BondGraph presents #79
  3. Added some normalization layers
  4. Slight improvements on energy, force, stress accuracies

Full Changelog: v0.2.2...v0.3.0