name: portable-rdock-pipeline
channels:
  - conda-forge
  - bioconda
dependencies:
  - python=3.11
  - numpy
  - pandas
  - scipy
  - scikit-learn
  - matplotlib
  - pyyaml
  - tqdm
  - joblib
  - biopython
  - pytest
  - requests
  - rdkit
  - openbabel
  - plip