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