modified_environment_still_not_working.yml

name: molgpka
channels:
  - rdkit
  - defaults
  - conda-forge
dependencies:
  - python=3.8
  - pip
  - jupyter
  - pytorch=1.10.1
  - scikit-learn=0.21.3
  - scikit-learn-intelex
  - numpy=1.18.1
  - pandas=0.25.3
  - rdkit
  - pip:
    - py3Dmol
    - requests
    - git+https://github.com/pyg-team/pytorch_geometric@2.0.2