diff --git a/setup.cfg b/setup.cfg index e0bd44c8..02b42b2d 100644 --- a/setup.cfg +++ b/setup.cfg @@ -38,6 +38,7 @@ install-requires = # ?? requires-dist? vermouth >= 0.9.6 scipy >= 1.6.0 tqdm + cgsmiles @ git+https://github.com/gruenewald-lab/CGsmiles.git@master zip-safe = False