aev-plig-mac.yml

name: aev-plig
channels:
  - defaults
dependencies:
  - ca-certificates=2024.7.2=hca03da5_0
  - libcxx=14.0.6=h848a8c0_0
  - libffi=3.4.4=hca03da5_1
  - ncurses=6.4=h313beb8_0
  - openssl=3.0.14=h80987f9_0
  - pip=24.0=py38hca03da5_0
  - python=3.8.19=hb885b13_0
  - readline=8.2=h1a28f6b_0
  - setuptools=69.5.1=py38hca03da5_0
  - sqlite=3.45.3=h80987f9_0
  - tk=8.6.14=h6ba3021_0
  - wheel=0.43.0=py38hca03da5_0
  - xz=5.4.6=h80987f9_1
  - zlib=1.2.13=h18a0788_1
  - pip:
      - aiohttp==3.9.5
      - aiosignal==1.3.1
      - annotated-types==0.7.0
      - async-timeout==4.0.3
      - attrs==23.2.0
      - biopandas==0.4.1
      - certifi==2024.7.4
      - charset-normalizer==3.3.2
      - filelock==3.15.4
      - frozenlist==1.4.1
      - fsspec==2024.6.1
      - idna==3.7
      - importlib-metadata==8.2.0
      - jinja2==3.1.4
      - joblib==1.4.2
      - lark-parser==0.12.0
      - markupsafe==2.1.5
      - mpmath==1.3.0
      - multidict==6.0.5
      - networkx==3.1
      - numpy==1.24.4
      - pandas==2.0.3
      - pillow==10.4.0
      - pint==0.21.1
      - psutil==6.0.0
      - pydantic==2.8.2
      - pydantic-core==2.20.1
      - pyparsing==3.1.2
      - python-dateutil==2.9.0.post0
      - pytz==2024.1
      - qcelemental==0.28.0
      - rdkit==2024.3.3
      - requests==2.32.3
      - scikit-learn==1.3.2
      - scipy==1.10.1
      - six==1.16.0
      - sympy==1.13.1
      - threadpoolctl==3.5.0
      - torch==2.4.0
      - torch-geometric==2.5.3
      - torch-sparse==0.6.18
      - torchani==2.2.4
      - torchaudio==2.4.0
      - torchvision==0.19.0
      - tqdm==4.66.4
      - typing-extensions==4.12.2
      - tzdata==2024.1
      - urllib3==2.2.2
      - yarl==1.9.4
      - zipp==3.19.2