Support for DGL 2.0.x - Githubissues

choderalab / espaloma

Extensible Surrogate Potential of Ab initio Learned and Optimized by Message-passing Algorithm 🍹https://arxiv.org/abs/2010.01196

https://docs.espaloma.org/en/latest/

MIT License

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Support for DGL 2.0.x #214

Open ijpulidos opened 3 months ago

ijpulidos commented 3 months ago

From https://github.com/choderalab/espaloma/issues/213

We could probably benefit from using newer/up-to-date versions of DGL. We would need to check if this requires a significant refactor or not, I haven't checked in detail what the differences are in DGL that would impact espaloma.