Note
This release updates espaloma to support the newest version (1.1.2) of DGL. There are no API breaking changes or updates to the espaloma model. We have attached espaloma-0.3.2.pt to this release for convince, but this model is identical to espaloma-0.3.1.pt. espaloma-latest.pt is also the same as espaloma-0.3.1.pt. Please see https://github.com/choderalab/espaloma/releases/tag/0.3.1 for more information about the espaloma 0.3.x family of models.
What's Changed
- Support latest (1.1.2) DGL version
Bug fixes, packaging, and documentation updates
- Installation Guide Update by @mikemhenry in #175
- Add docker and apptainer image building on demand by @mikemhenry in #176
- Update to new dgl version (1.1.1) by @mikemhenry in #179
- Add Instructions on loading local model by @ijpulidos in #183
- Test & Update to newest DGL Version (1.1.2) by @mikemhenry in #186
- Update readme and docs for version 0.3.2 @mikemhenry in #188
Full Changelog: 0.3.1...0.3.2
Contributors
ijpulidos and mikemhenry