espaloma_charge
espaloma_charge copied to clipboard
Support for DGL 2
We currently support outdated versions of DGL (namely 1.1.2), we probably want to support more up to date versions of this library in order to be able to have espaloma_charge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