choderalab / espaloma_charge

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

See if we can use dgl from conda-forge #35

Closed mikemhenry closed 2 months ago

mikemhenry commented 2 months ago

Sweet, going to merge this in since now our CI will be testing with the conda-forge package. Next PR will test to see what we need to do to update the package to newest versions of the openff-toolkit and dgl