1 research outputs found
choderalab/espaloma: Version 0.3.2 - Support Latest DGL Version
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 https://github.com/choderalab/espaloma/pull/175
Add docker and apptainer image building on demand by @mikemhenry in https://github.com/choderalab/espaloma/pull/176
Update to new dgl version (1.1.1) by @mikemhenry in https://github.com/choderalab/espaloma/pull/179
Add Instructions on loading local model by @ijpulidos in https://github.com/choderalab/espaloma/pull/183
Test & Update to newest DGL Version (1.1.2) by @mikemhenry in https://github.com/choderalab/espaloma/pull/186
Update readme and docs for version 0.3.2 @mikemhenry in https://github.com/choderalab/espaloma/pull/188
Full Changelog: https://github.com/choderalab/espaloma/compare/0.3.1...0.3.