env.yaml

name: torch-2.4
channels:
  - conda-forge
  - defaults
dependencies:
  - _libgcc_mutex=0.1=conda_forge
  - _openmp_mutex=4.5=2_gnu
  - bzip2=1.0.8=h4bc722e_7
  - ca-certificates=2024.8.30=hbcca054_0
  - ld_impl_linux-64=2.43=h712a8e2_1
  - libexpat=2.6.3=h5888daf_0
  - libffi=3.4.2=h7f98852_5
  - libgcc=14.1.0=h77fa898_1
  - libgcc-ng=14.1.0=h69a702a_1
  - libgomp=14.1.0=h77fa898_1
  - libnsl=2.0.1=hd590300_0
  - libsqlite=3.46.1=hadc24fc_0
  - libuuid=2.38.1=h0b41bf4_0
  - libxcrypt=4.4.36=hd590300_1
  - libzlib=1.3.1=h4ab18f5_1
  - ncurses=6.5=he02047a_1
  - openssl=3.3.2=hb9d3cd8_0
  - pip=24.2=pyh8b19718_1
  - python=3.12.6=hc5c86c4_2_cpython
  - readline=8.2=h8228510_1
  - setuptools=75.1.0=pyhd8ed1ab_0
  - tk=8.6.13=noxft_h4845f30_101
  - wheel=0.44.0=pyhd8ed1ab_0
  - xz=5.2.6=h166bdaf_0
  - pip:
      - annotated-types==0.7.0
      - certifi==2024.8.30
      - charset-normalizer==3.3.2
      - dgl==2.4.0+cu121
      - filelock==3.16.1
      - fsspec==2024.9.0
      - idna==3.10
      - jinja2==3.1.4
      - markupsafe==2.1.5
      - mpmath==1.3.0
      - networkx==3.3
      - numpy==2.1.1
      - nvidia-cublas-cu12==12.1.3.1
      - nvidia-cuda-cupti-cu12==12.1.105
      - nvidia-cuda-nvrtc-cu12==12.1.105
      - nvidia-cuda-runtime-cu12==12.1.105
      - nvidia-cudnn-cu12==9.1.0.70
      - nvidia-cufft-cu12==11.0.2.54
      - nvidia-curand-cu12==10.3.2.106
      - nvidia-cusolver-cu12==11.4.5.107
      - nvidia-cusparse-cu12==12.1.0.106
      - nvidia-nccl-cu12==2.20.5
      - nvidia-nvjitlink-cu12==12.6.77
      - nvidia-nvtx-cu12==12.1.105
      - packaging==24.1
      - pandas==2.2.3
      - pillow==10.4.0
      - psutil==6.0.0
      - pydantic==2.9.2
      - pydantic-core==2.23.4
      - python-dateutil==2.9.0.post0
      - pytz==2024.2
      - pyyaml==6.0.2
      - rdkit==2024.3.5
      - requests==2.32.3
      - scipy==1.14.1
      - six==1.16.0
      - sympy==1.13.3
      - torch==2.4.0
      - tqdm==4.66.5
      - triton==3.0.0
      - typing-extensions==4.12.2
      - tzdata==2024.2
      - urllib3==2.2.3