diff --git a/devtools/conda-envs/alchemiscale-compute.yml b/devtools/conda-envs/alchemiscale-compute.yml index 2e033e00..d776a940 100644 --- a/devtools/conda-envs/alchemiscale-compute.yml +++ b/devtools/conda-envs/alchemiscale-compute.yml @@ -15,6 +15,8 @@ dependencies: - click - httpx - pydantic<2.0 + - openff-nagl + - espaloma_charge # perses dependencies - openeye-toolkits