Fix notebook in train-multi-objective-gnn

"No... There is another" - Yoda
openforcefield · Dec 19, 2023 · e54a2ab · e54a2ab
1 parent 9d3e90d
commit e54a2ab
Show file tree

Hide file tree

Showing 2 changed files with 155 additions and 554 deletions.
diff --git a/devtools/conda-envs/examples_env.yaml b/devtools/conda-envs/examples_env.yaml
@@ -22,6 +22,7 @@ dependencies:
  # chemistry
  - openff-toolkit >=0.11.1
  - openff-units
+ - openff-recharge
  - pydantic <3
  - rdkit
  - openeye-toolkits