diff --git a/requirements.yaml b/requirements.yaml index fcccc7a..5687ccf 100644 --- a/requirements.yaml +++ b/requirements.yaml @@ -3,12 +3,12 @@ channels: - conda-forge - defaults dependencies: + - python=3.11 - pip - jupyter-book - pandas - rdkit - numpy - - jupyterlab - notebook - scipy - biopython @@ -22,8 +22,8 @@ dependencies: - mdanalysis - vina - prolif - - docutils>=0.21 - pip: - icn3dpy - rcsbsearchapi - pdb2pqr + - "docutils>0.21"