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 #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