v0.3.0
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:
- Increased AtomGraph cutoff to 6A #55
- Resolved discontinuity issue when no BondGraph presents #79
- Added some normalization layers
- Slight improvements on energy, force, stress accuracies
Full Changelog: v0.2.2...v0.3.0