name: molecule
channels:
  - defaults
dependencies:
  - _libgcc_mutex=0.1=main
  - _openmp_mutex=5.1=1_gnu
  - bzip2=1.0.8=h5eee18b_5
  - ca-certificates=2024.3.11=h06a4308_0
  - ld_impl_linux-64=2.38=h1181459_1
  - libffi=3.4.4=h6a678d5_0
  - libgcc-ng=11.2.0=h1234567_1
  - libgfortran-ng=7.5.0=ha8ba4b0_17
  - libgfortran4=7.5.0=ha8ba4b0_17
  - libgomp=11.2.0=h1234567_1
  - libstdcxx-ng=11.2.0=h1234567_1
  - libuuid=1.41.5=h5eee18b_0
  - mpi=1.0=mpich
  - mpi4py=3.1.4=py311hfc96bbd_0
  - mpich=3.3.2=hc856adb_0
  - ncurses=6.4=h6a678d5_0
  - openssl=3.0.13=h7f8727e_0
  - pip=23.3.1=py311h06a4308_0
  - python=3.11.9=h955ad1f_0
  - readline=8.2=h5eee18b_0
  - setuptools=68.2.2=py311h06a4308_0
  - sqlite=3.41.2=h5eee18b_0
  - tk=8.6.12=h1ccaba5_0
  - wheel=0.41.2=py311h06a4308_0
  - xz=5.4.6=h5eee18b_0
  - zlib=1.2.13=h5eee18b_0
  - pip:
      - aiohttp==3.9.5
      - aiosignal==1.3.1
      - annotated-types==0.6.0
      - appdirs==1.4.4
      - attrs==23.2.0
      - blis==0.7.11
      - blobfile==2.1.1
      - catalogue==2.0.10
      - certifi==2024.2.2
      - charset-normalizer==3.3.2
      - click==8.1.7
      - cloudpathlib==0.16.0
      - confection==0.1.4
      - cymem==2.0.8
      - datasets==2.19.0
      - dill==0.3.8
      - docker-pycreds==0.4.0
      - fcd==1.2.2
      - filelock==3.13.4
      - frozenlist==1.4.1
      - fsspec==2024.3.1
      - gitdb==4.0.11
      - gitpython==3.1.43
      - huggingface-hub==0.22.2
      - idna==3.7
      - jinja2==3.1.3
      - joblib==1.4.0
      - levenshtein==0.25.1
      - lxml==4.9.4
      - markupsafe==2.1.5
      - mpmath==1.3.0
      - multidict==6.0.5
      - multiprocess==0.70.16
      - murmurhash==1.0.10
      - networkx==3.2.1
      - nltk==3.8.1
      - numpy==1.26.4
      - 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==8.9.2.26
      - 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==12.4.127
      - nvidia-nvtx-cu12==12.1.105
      - packaging==24.0
      - pandas==2.2.1
      - pfzy==0.3.4
      - pillow==10.3.0
      - preshed==3.0.9
      - prompt-toolkit==3.0.43
      - protobuf==4.25.3
      - psutil==5.9.8
      - pyarrow==15.0.2
      - pyarrow-hotfix==0.6
      - pycryptodomex==3.20.0
      - pydantic==2.6.4
      - pydantic-core==2.16.3
      - python-dateutil==2.9.0.post0
      - pytz==2024.1
      - pyyaml==6.0.1
      - rapidfuzz==3.8.1
      - rdkit==2023.9.5
      - regex==2023.12.25
      - requests==2.31.0
      - safetensors==0.4.2
      - scipy==1.13.0
      - selfies==2.1.1
      - sentry-sdk==1.44.1
      - setproctitle==1.3.3
      - six==1.16.0
      - smart-open==6.4.0
      - smmap==5.0.1
      - spacy-legacy==3.0.12
      - spacy-loggers==1.0.5
      - srsly==2.4.8
      - sympy==1.12
      - thinc==8.2.3
      - tokenizers==0.15.2
      - torch==2.3.0
      - tqdm==4.66.2
      - transformers==4.39.3
      - triton==2.3.0
      - typer==0.9.4
      - typing-extensions==4.10.0
      - tzdata==2024.1
      - urllib3==2.2.1
      - wandb==0.16.6
      - wasabi==1.1.2
      - wcwidth==0.2.13
      - weasel==0.3.4
      - xxhash==3.4.1
      - yarl==1.9.4
prefix: /opt/conda/envs/molecule