name: cupofmoca
channels:
  - pytorch
  - nvidia
  - conda-forge
dependencies:
  - python=3.9
  - pip
  - pytorch=2.5.1
  - pytorch-cuda=12.1
  - numpy=1.26.4
  - scipy=1.13.1
  - pandas=2.3.2
  - scikit-learn=1.6.1
  - xgboost=2.1.4
  - matplotlib=3.9.4
  - seaborn=0.13.2
  - pillow=11.3.0
  - rdkit=2025.03.6
  - pip:
      - lightning==2.5.5
      - transformers==4.41.2
      - datasets==4.0.0
      - fair-esm==2.0.0
      - SmilesPE==0.0.3
      - easydict==1.13
      - tqdm==4.67.1