name: new_sc
channels:
  - conda-forge
  - defaults
dependencies:
  - _libgcc_mutex=0.1=main
  - _openmp_mutex=5.1=1_gnu
  - asttokens=2.4.1=pyhd8ed1ab_0
  - backcall=0.2.0=pyh9f0ad1d_0
  - ca-certificates=2024.8.30=hbcca054_0
  - comm=0.2.2=pyhd8ed1ab_0
  - debugpy=1.6.7=py38h6a678d5_0
  - decorator=5.1.1=pyhd8ed1ab_0
  - entrypoints=0.4=pyhd8ed1ab_0
  - executing=2.1.0=pyhd8ed1ab_0
  - ipykernel=6.29.5=pyh3099207_0
  - ipython=8.12.0=pyh41d4057_0
  - jedi=0.19.1=pyhd8ed1ab_0
  - jupyter_client=7.3.4=pyhd8ed1ab_0
  - jupyter_core=5.7.2=py38h578d9bd_0
  - ld_impl_linux-64=2.38=h1181459_1
  - libffi=3.4.4=h6a678d5_1
  - libgcc-ng=11.2.0=h1234567_1
  - libgomp=11.2.0=h1234567_1
  - libsodium=1.0.18=h36c2ea0_1
  - libstdcxx-ng=11.2.0=h1234567_1
  - matplotlib-inline=0.1.7=pyhd8ed1ab_0
  - ncurses=6.4=h6a678d5_0
  - nest-asyncio=1.6.0=pyhd8ed1ab_0
  - openssl=3.0.15=h5eee18b_0
  - packaging=24.1=pyhd8ed1ab_0
  - parso=0.8.4=pyhd8ed1ab_0
  - pexpect=4.9.0=pyhd8ed1ab_0
  - pickleshare=0.7.5=py_1003
  - pip=24.2=py38h06a4308_0
  - platformdirs=4.3.6=pyhd8ed1ab_0
  - prompt-toolkit=3.0.47=pyha770c72_0
  - prompt_toolkit=3.0.47=hd8ed1ab_0
  - ptyprocess=0.7.0=pyhd3deb0d_0
  - pure_eval=0.2.3=pyhd8ed1ab_0
  - pygments=2.18.0=pyhd8ed1ab_0
  - python=3.8.19=h955ad1f_0
  - python_abi=3.8=2_cp38
  - pyzmq=25.1.2=py38h6a678d5_0
  - readline=8.2=h5eee18b_0
  - setuptools=75.1.0=py38h06a4308_0
  - six=1.16.0=pyh6c4a22f_0
  - sqlite=3.45.3=h5eee18b_0
  - stack_data=0.6.2=pyhd8ed1ab_0
  - tk=8.6.14=h39e8969_0
  - tornado=6.1=py38h0a891b7_3
  - traitlets=5.14.3=pyhd8ed1ab_0
  - typing_extensions=4.12.2=pyha770c72_0
  - wcwidth=0.2.13=pyhd8ed1ab_0
  - wheel=0.44.0=py38h06a4308_0
  - xz=5.4.6=h5eee18b_1
  - zeromq=4.3.5=h6a678d5_0
  - zlib=1.2.13=h5eee18b_1
  - pip:
    - absl-py==2.1.0
    - aiohappyeyeballs==2.4.0
    - aiohttp==3.10.5
    - aiosignal==1.3.1
    - alembic==1.13.3
    - antlr4-python3-runtime==4.9.3
    - ase==3.23.0
    - async-timeout==4.0.3
    - attrs==24.2.0
    - beautifulsoup4==4.12.3
    - cachetools==5.5.0
    - captum==0.2.0
    - certifi==2024.8.30
    - charset-normalizer==3.3.2
    - cilog==1.3.0
    - click==8.1.7
    - cloudpickle==3.0.0
    - colorlog==6.8.2
    - contextlib2==21.6.0
    - contourpy==1.1.1
    - cycler==0.12.1
    - dive-into-graphs==1.1.0
    - docker-pycreds==0.4.0
    - e3nn==0.5.1
    - einops==0.8.0
    - et-xmlfile==1.1.0
    - filelock==3.16.1
    - fonttools==4.53.1
    - frozenlist==1.4.1
    - fsspec==2024.9.0
    - gdown==5.2.0
    - gitdb==4.0.11
    - gitpython==3.1.43
    - google-auth==2.35.0
    - google-auth-oauthlib==1.0.0
    - greenlet==3.1.1
    - grpcio==1.66.2
    - h5py==3.11.0
    - huggingface-hub==0.25.0
    - hydra-core==1.3.2
    - idna==3.10
    - imageio==2.35.1
    - importlib-metadata==8.5.0
    - importlib-resources==6.4.5
    - jinja2==3.1.4
    - joblib==1.4.2
    - kiwisolver==1.4.7
    - lightning-utilities==0.11.7
    - llvmlite==0.41.1
    - lmdb==1.5.1
    - mako==1.3.5
    - markdown==3.7
    - markupsafe==2.1.5
    - matplotlib==3.7.5
    - miniball==1.2.0
    - ml-collections==0.1.1
    - mpmath==1.3.0
    - msgpack==1.1.0
    - multidict==6.1.0
    - munch==4.0.0
    - mypy-extensions==1.0.0
    - networkx==3.1
    - numba==0.58.1
    - numpy==1.24.4
    - 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==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-ml-py==12.535.161
    - nvidia-nccl-cu12==2.20.5
    - nvidia-nvjitlink-cu12==12.6.68
    - nvidia-nvtx-cu12==12.1.105
    - nvitop==1.3.2
    - oauthlib==3.2.2
    - omegaconf==2.3.0
    - openpyxl==3.1.5
    - opt-einsum==3.3.0
    - opt-einsum-fx==0.1.4
    - optuna==4.0.0
    - pandas==2.0.3
    - pillow==10.4.0
    - posebusters==0.3.1
    - protobuf==5.28.2
    - psutil==6.0.0
    - pyasn1==0.6.1
    - pyasn1-modules==0.4.1
    - pyg-lib==0.4.0+pt24cu121
    - pyparsing==3.1.4
    - pyscf==2.7.0
    - pysocks==1.7.1
    - python-dateutil==2.9.0.post0
    - pytorch-lightning==2.4.0
    - pytz==2024.2
    - pyyaml==6.0.2
    - rdkit==2024.3.5
    - rdkit-pypi==2022.9.5
    - requests==2.32.3
    - requests-oauthlib==2.0.0
    - rsa==4.9
    - scikit-learn==1.3.2
    - scipy==1.10.1
    - sentry-sdk==2.14.0
    - setproctitle==1.3.3
    - shap==0.44.1
    - slicer==0.0.7
    - smmap==5.0.1
    - soupsieve==2.6
    - sqlalchemy==2.0.35
    - sympy==1.13.3
    - tabulate==0.9.0
    - tensorboard==2.14.0
    - tensorboard-data-server==0.7.2
    - tensorboardx==2.6.2.2
    - termcolor==2.4.0
    - threadpoolctl==3.5.0
    - tokenizers==0.20.0
    - torch==2.4.1
    - torch-cluster==1.6.3+pt24cu121
    - torch-geometric==2.6.0
    - torch-scatter==2.1.2+pt24cu121
    - torch-sparse==0.6.18+pt24cu121
    - torch-spline-conv==1.2.2+pt24cu121
    - torchaudio==2.4.1
    - torchmetrics==1.4.2
    - torchtyping==0.1.5
    - torchvision==0.19.1
    - tqdm==4.66.5
    - triton==3.0.0
    - typed-argument-parser==1.7.2
    - typeguard==2.13.3
    - typing-inspect==0.9.0
    - tzdata==2024.1
    - unicore==0.0.1
    - urllib3==2.2.3
    - wandb==0.18.1
    - werkzeug==3.0.4
    - yacs==0.1.8
    - yarl==1.11.1
    - zipp==3.20.2
prefix: ~/miniconda3/envs/new_sc
