v0.4.1: Add r2SCAN model support and update documentation
What's New in v0.4.1
馃殌 New Features
- r2SCAN Model Support: Added support for loading r2SCAN transfer learning models via
CHGNet.load('r2scan') - Enhanced Documentation: Updated README with detailed pretrained models section
馃敡 Improvements
- Model Loading: CHGNet.load() now supports:
CHGNet.load()- Latest MPtrj-pretrained CHGNet (0.3.0)CHGNet.load('0.2.0')- Deprecated MPtrj version for backward compatibilityCHGNet.load('r2scan')- R2SCAN level model transfer learned from MP-R2SCAN dataset
- CI Improvements: Fixed wandb hostname issues in GitHub Actions
- Documentation: Added code examples and references to MatGL/MatPES models
馃摎 Documentation Updates
- Added comprehensive pretrained models section to README
- Included usage examples for different model versions
- Added reference to MatGL/MatPES models for non-ground-state calculations
- r2SCAN Model Details: See r2SCAN model documentation for detailed information about the R2SCAN transfer learning model
馃悰 Bug Fixes
- Fixed wandb hostname length issues in CI environment
- Improved error handling in model loading functions
- Fixed r2SCAN model is_intensive attribute: Set to True for correct behavior
馃摉 r2SCAN Model Information
The r2SCAN model is a transfer learning model fine-tuned from CHGNet v0.3.0 on the MP-r2SCAN dataset. For detailed information about model parameters, training configuration, and performance metrics, please refer to the r2SCAN model documentation.