environment.yml

name: P2DFlow
channels:
  - pytorch
  - nvidia
  - https://mirrors.tuna.tsinghua.edu.cn/anaconda/cloud/conda-forge
  - conda-forge
dependencies:
  - pip
  - _libgcc_mutex=0.1=conda_forge
  - _openmp_mutex=4.5=2_gnu
  - anyio=3.7.1=pyhd8ed1ab_0
  - argon2-cffi=21.3.0=pyhd8ed1ab_0
  - argon2-cffi-bindings=21.2.0=py310h5764c6d_3
  - arrow=1.2.3=pyhd8ed1ab_0
  - asttokens=2.2.1=pyhd8ed1ab_0
  - astunparse=1.6.3=pyhd8ed1ab_0
  - async-lru=2.0.4=pyhd8ed1ab_0
  - attrs=23.1.0=pyh71513ae_1
  - babel=2.12.1=pyhd8ed1ab_1
  - backcall=0.2.0=pyh9f0ad1d_0
  - backports=1.0=pyhd8ed1ab_3
  - backports.functools_lru_cache=1.6.5=pyhd8ed1ab_0
  - beautifulsoup4=4.12.2=pyha770c72_0
  - biopython=1.81=py310h1fa729e_0
  - bleach=6.0.0=pyhd8ed1ab_0
  - blosc=1.21.4=h0f2a231_0
  - boltons=23.1.1=pyhd8ed1ab_0
  - boost=1.78.0=py310hcb52e73_5
  - boost-cpp=1.78.0=h2c5509c_4
  - brotli=1.0.9=h166bdaf_9
  - brotli-bin=1.0.9=h166bdaf_9
  - brotli-python=1.0.9=py310hd8f1fbe_9
  - bzip2=1.0.8=h7f98852_4
  - c-ares=1.19.1=hd590300_0
  - c-blosc2=2.10.2=hb4ffafa_0
  - ca-certificates=2024.2.2=hbcca054_0
  - cached-property=1.5.2=hd8ed1ab_1
  - cached_property=1.5.2=pyha770c72_1
  - cairo=1.18.0=h3faef2a_0
  - certifi=2024.2.2=pyhd8ed1ab_0
  - cffi=1.15.1=py310h255011f_3
  - cftime=1.6.3=py310h1f7b6fc_0
  - chardet=5.2.0=py310hff52083_1
  - charset-normalizer=3.2.0=pyhd8ed1ab_0
  - colorama=0.4.6=pyhd8ed1ab_0
  - comm=0.1.4=pyhd8ed1ab_0
  - conda=23.7.4=py310hff52083_0
  - conda-package-handling=2.2.0=pyh38be061_0
  - conda-package-streaming=0.9.0=pyhd8ed1ab_0
  - contourpy=1.1.0=py310hd41b1e2_0
  - cryptography=41.0.7=py310hb8475ec_1
  - cuda=11.6.0=0
  - cuda-cccl=11.6.55=hf6102b2_0
  - cuda-command-line-tools=11.6.2=0
  - cuda-compiler=11.6.2=0
  - cuda-cudart=11.6.55=he381448_0
  - cuda-cudart-dev=11.6.55=h42ad0f4_0
  - cuda-cuobjdump=11.6.124=h2eeebcb_0
  - cuda-cupti=11.6.124=h86345e5_0
  - cuda-cuxxfilt=11.6.124=hecbf4f6_0
  - cuda-driver-dev=11.6.55=0
  - cuda-gdb=12.0.90=hd47b8d6_0
  - cuda-libraries=11.6.2=0
  - cuda-libraries-dev=11.6.0=0
  - cuda-memcheck=11.8.86=0
  - cuda-nsight=12.0.78=ha770c72_0
  - cuda-nsight-compute=12.2.1=0
  - cuda-nvcc=11.6.124=hbba6d2d_0
  - cuda-nvdisasm=12.0.76=h59595ed_0
  - cuda-nvml-dev=11.6.55=haa9ef22_0
  - cuda-nvprof=12.0.90=h59595ed_0
  - cuda-nvprune=11.6.124=he22ec0a_0
  - cuda-nvrtc=11.6.124=h020bade_0
  - cuda-nvrtc-dev=11.6.124=h249d397_0
  - cuda-nvtx=11.6.124=h0630a44_0
  - cuda-nvvp=12.0.90=h59595ed_0
  - cuda-runtime=11.6.2=0
  - cuda-samples=11.6.101=h8efea70_0
  - cuda-sanitizer-api=12.0.90=h59595ed_0
  - cuda-toolkit=11.6.0=0
  - cuda-tools=11.6.0=0
  - cuda-version=12.0=hffde075_2
  - cuda-visual-tools=11.6.0=0
  - cycler=0.11.0=pyhd8ed1ab_0
  - debugpy=1.6.8=py310hc6cd4ac_0
  - decorator=5.1.1=pyhd8ed1ab_0
  - defusedxml=0.7.1=pyhd8ed1ab_0
  - entrypoints=0.4=pyhd8ed1ab_0
  - exceptiongroup=1.1.3=pyhd8ed1ab_0
  - executing=1.2.0=pyhd8ed1ab_0
  - expat=2.6.2=h59595ed_0
  - fasteners=0.17.3=pyhd8ed1ab_0
  - flit-core=3.9.0=pyhd8ed1ab_0
  - fmt=10.1.1=h00ab1b0_1
  - font-ttf-dejavu-sans-mono=2.37=hab24e00_0
  - font-ttf-inconsolata=3.000=h77eed37_0
  - font-ttf-source-code-pro=2.038=h77eed37_0
  - font-ttf-ubuntu=0.83=h77eed37_1
  - fontconfig=2.14.2=h14ed4e7_0
  - fonts-conda-ecosystem=1=0
  - fonts-conda-forge=1=0
  - fonttools=4.42.0=py310h2372a71_0
  - fqdn=1.5.1=pyhd8ed1ab_0
  - freetype=2.12.1=hca18f0e_1
  - freetype-py=2.3.0=pyhd8ed1ab_0
  - gds-tools=1.5.0.59=hcb278e6_0
  - gmp=6.2.1=h58526e2_0
  - greenlet=3.0.3=py310hc6cd4ac_0
  - griddataformats=1.0.2=pyhd8ed1ab_0
  - gsd=3.2.0=py310h1f7b6fc_0
  - h5py=3.9.0=nompi_py310hcca72df_101
  - hdf4=4.2.15=h501b40f_6
  - hdf5=1.14.1=nompi_h4f84152_100
  - icu=73.2=h59595ed_0
  - idna=3.4=pyhd8ed1ab_0
  - importlib-metadata=6.8.0=pyha770c72_0
  - importlib_metadata=6.8.0=hd8ed1ab_0
  - importlib_resources=6.0.1=pyhd8ed1ab_0
  - ipykernel=6.25.1=pyh71e2992_0
  - ipython=8.14.0=pyh41d4057_0
  - ipywidgets=8.1.1=pyhd8ed1ab_0
  - isoduration=20.11.0=pyhd8ed1ab_0
  - jedi=0.19.0=pyhd8ed1ab_0
  - jinja2=3.1.2=pyhd8ed1ab_1
  - joblib=1.3.2=pyhd8ed1ab_0
  - json5=0.9.14=pyhd8ed1ab_0
  - jsonpatch=1.33=pyhd8ed1ab_0
  - jsonpointer=2.0=py_0
  - jsonschema=4.19.0=pyhd8ed1ab_1
  - jsonschema-specifications=2023.7.1=pyhd8ed1ab_0
  - jsonschema-with-format-nongpl=4.19.0=pyhd8ed1ab_1
  - jupyter-lsp=2.2.0=pyhd8ed1ab_0
  - jupyter_client=8.3.0=pyhd8ed1ab_0
  - jupyter_core=5.3.1=py310hff52083_0
  - jupyter_events=0.7.0=pyhd8ed1ab_2
  - jupyter_server=2.7.1=pyhd8ed1ab_0
  - jupyter_server_terminals=0.4.4=pyhd8ed1ab_1
  - jupyterlab=4.0.5=pyhd8ed1ab_0
  - jupyterlab_pygments=0.2.2=pyhd8ed1ab_0
  - jupyterlab_server=2.24.0=pyhd8ed1ab_0
  - jupyterlab_widgets=3.0.9=pyhd8ed1ab_0
  - keyutils=1.6.1=h166bdaf_0
  - kiwisolver=1.4.4=py310hbf28c38_1
  - krb5=1.21.2=h659d440_0
  - lcms2=2.15=haa2dc70_1
  - ld_impl_linux-64=2.40=h41732ed_0
  - lerc=4.0.0=h27087fc_0
  - libaec=1.0.6=hcb278e6_1
  - libarchive=3.6.2=h039dbb9_1
  - libblas=3.9.0=17_linux64_openblas
  - libbrotlicommon=1.0.9=h166bdaf_9
  - libbrotlidec=1.0.9=h166bdaf_9
  - libbrotlienc=1.0.9=h166bdaf_9
  - libcblas=3.9.0=17_linux64_openblas
  - libcublas=12.0.1.189=hcb278e6_2
  - libcublas-dev=12.0.1.189=hcb278e6_2
  - libcufft=11.0.0.21=hcb278e6_1
  - libcufft-dev=11.0.0.21=hcb278e6_1
  - libcufile=1.5.0.59=hcb278e6_0
  - libcufile-dev=1.5.0.59=hcb278e6_0
  - libcurand=10.3.1.50=hcb278e6_0
  - libcurand-dev=10.3.1.50=hcb278e6_0
  - libcurl=8.2.1=hca28451_0
  - libcusolver=11.4.2.57=hcb278e6_1
  - libcusparse=12.0.0.76=hcb278e6_1
  - libdeflate=1.18=h0b41bf4_0
  - libedit=3.1.20191231=he28a2e2_2
  - libev=4.33=h516909a_1
  - libexpat=2.6.2=h59595ed_0
  - libffi=3.4.2=h7f98852_5
  - libgcc-ng=13.1.0=he5830b7_0
  - libgfortran-ng=13.1.0=h69a702a_0
  - libgfortran5=13.1.0=h15d22d2_0
  - libglib=2.80.0=hf2295e7_5
  - libgomp=13.1.0=he5830b7_0
  - libiconv=1.17=hd590300_2
  - libjpeg-turbo=2.1.5.1=h0b41bf4_0
  - liblapack=3.9.0=17_linux64_openblas
  - libmamba=1.5.1=h744094f_0
  - libmambapy=1.5.1=py310h39ff949_0
  - libnetcdf=4.9.2=nompi_he09a3a9_107
  - libnghttp2=1.52.0=h61bc06f_0
  - libnpp=12.0.0.30=h59595ed_0
  - libnpp-dev=12.0.0.30=h59595ed_0
  - libnsl=2.0.0=h7f98852_0
  - libnuma=2.0.16=h0b41bf4_1
  - libnvjitlink=12.0.76=hcb278e6_1
  - libnvjpeg=12.0.0.28=hcb278e6_0
  - libnvjpeg-dev=12.0.0.28=ha770c72_0
  - libopenblas=0.3.23=pthreads_h80387f5_0
  - libpng=1.6.39=h753d276_0
  - libsodium=1.0.18=h36c2ea0_1
  - libsolv=0.7.27=hfc55251_0
  - libsqlite=3.42.0=h2797004_0
  - libssh2=1.11.0=h0841786_0
  - libstdcxx-ng=13.1.0=hfd8a6a1_0
  - libtiff=4.5.1=h8b53f26_0
  - libuuid=2.38.1=h0b41bf4_0
  - libwebp-base=1.3.1=hd590300_0
  - libxcb=1.15=h0b41bf4_0
  - libxml2=2.12.4=h232c23b_1
  - libzip=1.10.1=h2629f0a_3
  - libzlib=1.2.13=hd590300_5
  - lz4-c=1.9.4=hcb278e6_0
  - lzo=2.10=h516909a_1000
  - mamba=1.5.1=py310h51d5547_0
  - markupsafe=2.1.3=py310h2372a71_0
  - matplotlib-base=3.7.2=py310hf38f957_0
  - matplotlib-inline=0.1.6=pyhd8ed1ab_0
  - mda-xdrlib=0.2.0=pyhd8ed1ab_0
  - mdanalysis=2.7.0=py310hcc13569_1
  - mdtraj=1.9.9=py310h8e08b51_0
  - mistune=3.0.1=pyhd8ed1ab_0
  - mmtf-python=1.1.3=pyhd8ed1ab_0
  - mrcfile=1.5.0=pyhd8ed1ab_0
  - msgpack-python=1.0.7=py310hd41b1e2_0
  - munkres=1.1.4=pyh9f0ad1d_0
  - nbclient=0.8.0=pyhd8ed1ab_0
  - nbconvert-core=7.7.4=pyhd8ed1ab_0
  - nbformat=5.9.2=pyhd8ed1ab_0
  - ncurses=6.4=hcb278e6_0
  - nest-asyncio=1.5.6=pyhd8ed1ab_0
  - netcdf4=1.6.4=nompi_py310h6f5dce6_101
  - nglview=3.1.1=pyh15ce09e_0
  - nomkl=1.0=h5ca1d4c_0
  - notebook-shim=0.2.3=pyhd8ed1ab_0
  - nsight-compute=2023.2.1.3=0
  - numexpr=2.8.4=py310hd91493a_101
  - numpy=1.25.2=py310ha4c1d20_0
  - openjpeg=2.5.0=hfec8fc6_2
  - openssl=3.2.1=hd590300_1
  - overrides=7.4.0=pyhd8ed1ab_0
  - packaging=23.1=pyhd8ed1ab_0
  - pandas=2.0.3=py310h7cbd5c2_1
  - pandocfilters=1.5.0=pyhd8ed1ab_0
  - parso=0.8.3=pyhd8ed1ab_0
  - patsy=0.5.3=pyhd8ed1ab_0
  - pcre2=10.43=hcad00b1_0
  - pexpect=4.8.0=pyh1a96a4e_2
  - pickleshare=0.7.5=py_1003
  - pillow=10.0.0=py310h582fbeb_0
  - pixman=0.43.2=h59595ed_0
  - pkgutil-resolve-name=1.3.10=pyhd8ed1ab_0
  - platformdirs=3.10.0=pyhd8ed1ab_0
  - pluggy=1.3.0=pyhd8ed1ab_0
  - pooch=1.7.0=pyha770c72_3
  - prometheus_client=0.17.1=pyhd8ed1ab_0
  - prompt-toolkit=3.0.39=pyha770c72_0
  - prompt_toolkit=3.0.39=hd8ed1ab_0
  - psutil=5.9.5=py310h1fa729e_0
  - pthread-stubs=0.4=h36c2ea0_1001
  - ptyprocess=0.7.0=pyhd3deb0d_0
  - pure_eval=0.2.2=pyhd8ed1ab_0
  - py-cpuinfo=9.0.0=pyhd8ed1ab_0
  - pybind11-abi=4=hd8ed1ab_3
  - pycairo=1.26.0=py310hda9f760_0
  - pycosat=0.6.6=py310h2372a71_0
  - pycparser=2.21=pyhd8ed1ab_0
  - pyedr=0.8.0=pyhd8ed1ab_0
  - pygments=2.16.1=pyhd8ed1ab_0
  - pyopenssl=23.3.0=pyhd8ed1ab_0
  - pyparsing=3.0.9=pyhd8ed1ab_0
  - pysocks=1.7.1=pyha2e5f31_6
  - pytables=3.8.0=py310ha028ce3_2
  - python=3.10.12=hd12c33a_0_cpython
  - python-dateutil=2.8.2=pyhd8ed1ab_0
  - python-fastjsonschema=2.18.0=pyhd8ed1ab_0
  - python-json-logger=2.0.7=pyhd8ed1ab_0
  - python-tzdata=2023.3=pyhd8ed1ab_0
  - python_abi=3.10=3_cp310
  - pytng=0.3.1=py310h7d11597_1
  - pytorch-cuda=11.6=h867d48c_0
  - pytz=2023.3=pyhd8ed1ab_0
  - pyyaml=6.0=py310h5764c6d_5
  - pyzmq=25.1.1=py310h5bbb5d0_0
  - rdkit=2023.03.3=py310h399bcf7_0
  - readline=8.2=h8228510_1
  - referencing=0.30.2=pyhd8ed1ab_0
  - reportlab=4.1.0=py310h2372a71_0
  - reproc=14.2.4.post0=hd590300_1
  - reproc-cpp=14.2.4.post0=h59595ed_1
  - requests=2.31.0=pyhd8ed1ab_0
  - rfc3339-validator=0.1.4=pyhd8ed1ab_0
  - rfc3986-validator=0.1.1=pyh9f0ad1d_0
  - rlpycairo=0.2.0=pyhd8ed1ab_0
  - rpds-py=0.9.2=py310hcb5633a_0
  - ruamel.yaml=0.17.40=py310h2372a71_0
  - ruamel.yaml.clib=0.2.7=py310h2372a71_2
  - scikit-learn=1.3.2=py310h1fdf081_2
  - scipy=1.11.1=py310ha4c1d20_0
  - seaborn=0.12.2=hd8ed1ab_0
  - seaborn-base=0.12.2=pyhd8ed1ab_0
  - send2trash=1.8.2=pyh41d4057_0
  - setuptools=68.1.2=pyhd8ed1ab_0
  - six=1.16.0=pyh6c4a22f_0
  - snappy=1.1.10=h9fff704_0
  - sniffio=1.3.0=pyhd8ed1ab_0
  - soupsieve=2.3.2.post1=pyhd8ed1ab_0
  - sqlalchemy=2.0.29=py310h2372a71_0
  - stack_data=0.6.2=pyhd8ed1ab_0
  - statsmodels=0.14.0=py310h278f3c1_1
  - terminado=0.17.1=pyh41d4057_0
  - threadpoolctl=3.2.0=pyha21a80b_0
  - tidynamics=1.1.2=pyhd8ed1ab_0
  - tinycss2=1.2.1=pyhd8ed1ab_0
  - tk=8.6.12=h27826a3_0
  - tomli=2.0.1=pyhd8ed1ab_0
  - toolz=0.12.0=pyhd8ed1ab_0
  - tornado=6.3.3=py310h2372a71_0
  - tqdm=4.66.1=pyhd8ed1ab_0
  - traitlets=5.9.0=pyhd8ed1ab_0
  - typing-extensions=4.7.1=hd8ed1ab_0
  - typing_extensions=4.7.1=pyha770c72_0
  - typing_utils=0.1.0=pyhd8ed1ab_0
  - tzdata=2023c=h71feb2d_0
  - unicodedata2=15.0.0=py310h5764c6d_0
  - uri-template=1.3.0=pyhd8ed1ab_0
  - urllib3=2.0.4=pyhd8ed1ab_0
  - wcwidth=0.2.6=pyhd8ed1ab_0
  - webcolors=1.13=pyhd8ed1ab_0
  - webencodings=0.5.1=py_1
  - websocket-client=1.6.1=pyhd8ed1ab_0
  - wheel=0.41.1=pyhd8ed1ab_0
  - widgetsnbextension=4.0.9=pyhd8ed1ab_0
  - xorg-kbproto=1.0.7=h7f98852_1002
  - xorg-libice=1.1.1=hd590300_0
  - xorg-libsm=1.2.4=h7391055_0
  - xorg-libx11=1.8.9=h8ee46fc_0
  - xorg-libxau=1.0.11=hd590300_0
  - xorg-libxdmcp=1.1.3=h7f98852_0
  - xorg-libxext=1.3.4=h0b41bf4_2
  - xorg-libxrender=0.9.11=hd590300_0
  - xorg-renderproto=0.11.1=h7f98852_1002
  - xorg-xextproto=7.3.0=h0b41bf4_1003
  - xorg-xproto=7.0.31=h7f98852_1007
  - xz=5.2.6=h166bdaf_0
  - yaml=0.2.5=h7f98852_2
  - yaml-cpp=0.7.0=h59595ed_3
  - zeromq=4.3.4=h9c3ff4c_1
  - zipp=3.16.2=pyhd8ed1ab_0
  - zlib=1.2.13=hd590300_5
  - zlib-ng=2.0.7=h0b41bf4_0
  - zstandard=0.19.0=py310h1275a96_2
  - zstd=1.5.2=hfc55251_7
  - pip:
      - absl-py==1.4.0
      - aiohttp==3.8.5
      - aiosignal==1.3.1
      - alabaster==0.7.16
      - annotated-types==0.5.0
      - antlr4-python3-runtime==4.9.3
      - appdirs==1.4.4
      - async-timeout==4.0.3
      - backoff==2.2.1
      - biotite==0.37.0
      - blessed==1.20.0
      - cachetools==5.3.1
      - click==8.1.7
      - cmake==3.27.2
      - contextlib2==21.6.0
      - croniter==1.4.1
      - dateutils==0.6.12
      - deepdiff==6.3.1
      - deepspeed==0.12.3
      - dm-tree==0.1.8
      - docker-pycreds==0.4.0
      - docutils==0.21.2
      - e3nn==0.5.1
      - einops==0.6.1
      - fair-esm==2.0.0
      - fastapi==0.101.1
      - filelock==3.12.2
      - frozenlist==1.4.0
      - fsspec==2023.6.0
      - gitdb==4.0.10
      - gitpython==3.1.32
      - gpustat==1.1
      - gputil==1.4.0
      - h11==0.14.0
      - hjson==3.1.0
      - hydra-core==1.3.2
      - imagesize==1.4.1
      - inquirer==3.1.3
      - ipdb==0.13.13
      - ipython-genutils==0.2.0
      - itsdangerous==2.1.2
      - jupyter==1.0.0
      - jupyter-console==6.6.3
      - jupyter-contrib-core==0.4.2
      - jupyter-contrib-nbextensions==0.7.0
      - jupyter-highlight-selected-word==0.2.0
      - jupyter-nbextensions-configurator==0.6.3
      - lightning==2.0.7
      - lightning-cloud==0.5.37
      - lightning-utilities==0.9.0
      - lit==16.0.6
      - lxml==5.1.0
      - markdown-it-py==3.0.0
      - mdurl==0.1.2
      - mizani==0.9.3
      - ml-collections==0.1.1
      - mpmath==1.3.0
      - msgpack==1.0.5
      - multidict==6.0.4
      - networkx==3.1
      - ninja==1.11.1
      - notebook==7.0.7
      - numpydoc==1.7.0
      - nvidia-cublas-cu11==11.10.3.66
      - nvidia-cuda-cupti-cu11==11.7.101
      - nvidia-cuda-nvrtc-cu11==11.7.99
      - nvidia-cuda-runtime-cu11==11.7.99
      - nvidia-cudnn-cu11==8.5.0.96
      - nvidia-cufft-cu11==10.9.0.58
      - nvidia-curand-cu11==10.2.10.91
      - nvidia-cusolver-cu11==11.4.0.1
      - nvidia-cusparse-cu11==11.7.4.91
      - nvidia-ml-py==12.535.77
      - nvidia-nccl-cu11==2.14.3
      - nvidia-nvtx-cu11==11.7.91
      - nvitop==1.3.0
      - oddt==0.7
      - omegaconf==2.3.0
      - opt-einsum==3.3.0
      - opt-einsum-fx==0.1.4
      - ordered-set==4.1.0
      - pathtools==0.1.2
      - pip==24.1.2
      - plotly==5.16.1
      - plotnine==0.12.3
      - protobuf==4.24.1
      - pydantic==2.1.1
      - pydantic-core==2.4.0
      - pyg-lib==0.4.0+pt20cu117
      - -f https://data.pyg.org/whl/torch-2.0.0+cu117.html
      - pyjwt==2.8.0
      - pynvml==11.5.0
      - python-editor==1.0.4
      - python-multipart==0.0.6
      - pytorch-lightning==2.0.7
      - qtconsole==5.5.1
      - qtpy==2.4.1
      - readchar==4.0.5
      - rich==13.5.2
      - sentry-sdk==1.29.2
      - setproctitle==1.3.2
      - smmap==5.0.0
      - snakeviz==2.2.0
      - snowballstemmer==2.2.0
      - sphinx==7.3.7
      - sphinxcontrib-applehelp==1.0.8
      - sphinxcontrib-devhelp==1.0.6
      - sphinxcontrib-htmlhelp==2.0.5
      - sphinxcontrib-jsmath==1.0.1
      - sphinxcontrib-qthelp==1.0.7
      - sphinxcontrib-serializinghtml==1.1.10
      - starlette==0.27.0
      - starsessions==1.3.0
      - swig==4.2.1
      - sympy==1.12
      - tabulate==0.9.0
      - tenacity==8.2.3
      - termcolor==2.3.0
      - tmtools==0.0.3
      - torch==2.0.1
      - torch-cluster==1.6.3+pt20cu117
      - -f https://data.pyg.org/whl/torch-2.0.0+cu117.html
      - torch-geometric==2.5.2
      - -f https://data.pyg.org/whl/torch-2.0.0+cu117.html
      - torch-scatter==2.1.2+pt20cu117
      - -f https://data.pyg.org/whl/torch-2.0.0+cu117.html
      - torch-sparse==0.6.18+pt20cu117
      - -f https://data.pyg.org/whl/torch-2.0.0+cu117.html
      - torch-spline-conv==1.2.2+pt20cu117
      - -f https://data.pyg.org/whl/torch-2.0.0+cu117.html
      - torchmetrics==1.0.3
      - triton==2.0.0
      - uvicorn==0.23.2
      - wandb==0.15.8
      - websockets==11.0.3
      - yarl==1.9.2