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choderalab / espaloma_charge

Standalone charge assignment from Espaloma framework.
MIT License
38 stars 5 forks source link

Support for DGL 2 #36

Open ijpulidos opened 5 months ago

ijpulidos commented 5 months ago

We currently support outdated versions of DGL (namely 1.1.2), we probably want to support more up to date versions of this library in order to be able to have espaloma_charge as part of an environment with reasonable up to date packages.

related to https://github.com/choderalab/espaloma_charge/issues/34