name: base
channels:
  - omnia
  - pytorch
  - conda-forge
  - defaults
dependencies:
  - appnope=0.1.2=py39hecd8cb5_1001
  - argon2-cffi=21.3.0=pyhd3eb1b0_0
  - argon2-cffi-bindings=21.2.0=py39hca72f7f_0
  - attrs=21.4.0=pyhd3eb1b0_0
  - backcall=0.2.0=pyhd3eb1b0_0
  - blas=1.0=mkl
  - bleach=4.1.0=pyhd3eb1b0_0
  - bottleneck=1.3.2=py39he3068b8_1
  - brotlipy=0.7.0=py39h9ed2024_1003
  - bzip2=1.0.8=h1de35cc_0
  - ca-certificates=2021.10.8=h033912b_0
  - certifi=2021.10.8=py39h6e9494a_1
  - cffi=1.14.6=py39h2125817_0
  - chardet=4.0.0=py39hecd8cb5_1003
  - conda=4.11.0=py39h6e9494a_2
  - conda-package-handling=1.7.3=py39h9ed2024_1
  - cryptography=3.4.7=py39h2fd3fbb_0
  - debugpy=1.5.1=py39he9d5cce_0
  - decorator=5.1.1=pyhd3eb1b0_0
  - defusedxml=0.7.1=pyhd3eb1b0_0
  - entrypoints=0.3=py39hecd8cb5_0
  - ffmpeg=4.3=h0a44026_0
  - fftw=3.3.10=nompi_hf082fe4_102
  - freetype=2.11.0=hd8bbffd_0
  - gettext=0.21.0=h7535e17_0
  - giflib=5.2.1=haf1e3a3_0
  - gmp=6.2.1=h23ab428_2
  - gnutls=3.6.15=hed9c0bf_0
  - icu=58.2=h0a44026_3
  - idna=2.10=pyhd3eb1b0_0
  - importlib-metadata=4.8.2=py39hecd8cb5_0
  - importlib_metadata=4.8.2=hd3eb1b0_0
  - intel-openmp=2021.4.0=hecd8cb5_3538
  - ipykernel=6.4.1=py39hecd8cb5_1
  - ipython=7.31.1=py39hecd8cb5_0
  - ipython_genutils=0.2.0=pyhd3eb1b0_1
  - ipywidgets=7.6.5=pyhd3eb1b0_1
  - jedi=0.18.1=py39hecd8cb5_1
  - jinja2=3.0.2=pyhd3eb1b0_0
  - jpeg=9d=h9ed2024_0
  - jsonschema=3.2.0=pyhd3eb1b0_2
  - jupyter=1.0.0=py39hecd8cb5_7
  - jupyter_client=7.1.2=pyhd3eb1b0_0
  - jupyter_console=6.4.0=pyhd3eb1b0_0
  - jupyter_core=4.9.1=py39hecd8cb5_0
  - jupyterlab_pygments=0.1.2=py_0
  - jupyterlab_widgets=1.0.0=pyhd3eb1b0_1
  - khronos-opencl-icd-loader=2022.01.04=h0d85af4_0
  - lame=3.100=h1de35cc_0
  - lcms2=2.12=hf1fd2bf_0
  - libcxx=12.0.0=h2f01273_0
  - libffi=3.3=hb1e8313_2
  - libgfortran=5.0.0=9_3_0_h6c81a4c_23
  - libgfortran5=9.3.0=h6c81a4c_23
  - libiconv=1.16=h1de35cc_0
  - libidn2=2.3.2=h9ed2024_0
  - libpng=1.6.37=ha441bb4_0
  - libsodium=1.0.18=h1de35cc_0
  - libtasn1=4.16.0=h9ed2024_0
  - libtiff=4.2.0=h87d7836_0
  - libunistring=0.9.10=h9ed2024_0
  - libuv=1.40.0=haf1e3a3_0
  - libwebp=1.2.0=hacca55c_0
  - libwebp-base=1.2.0=h9ed2024_0
  - libxml2=2.9.12=hcdb78fc_0
  - llvm-openmp=12.0.0=h0dcd299_1
  - lz4-c=1.9.3=h23ab428_1
  - markupsafe=2.0.1=py39h9ed2024_0
  - matplotlib-inline=0.1.2=pyhd3eb1b0_2
  - mistune=0.8.4=py39h9ed2024_1000
  - mkl=2021.4.0=hecd8cb5_637
  - mkl-service=2.4.0=py39h9ed2024_0
  - mkl_fft=1.3.1=py39h4ab4a9b_0
  - mkl_random=1.2.2=py39hb2f4e1b_0
  - nbclient=0.5.11=pyhd3eb1b0_0
  - nbconvert=6.3.0=py39hecd8cb5_0
  - nbformat=5.1.3=pyhd3eb1b0_0
  - ncurses=6.2=h0a44026_1
  - nest-asyncio=1.5.1=pyhd3eb1b0_0
  - nettle=3.7.3=h230ac6f_1
  - networkx=2.6.3=pyhd3eb1b0_0
  - notebook=6.4.8=py39hecd8cb5_0
  - numexpr=2.8.1=py39h2e5f0a9_0
  - numpy=1.21.2=py39h4b4dc7a_0
  - numpy-base=1.21.2=py39he0bd621_0
  - ocl_icd_wrapper_apple=1.0.0=hbcb3906_0
  - olefile=0.46=pyhd3eb1b0_0
  - openh264=2.1.1=h8346a28_0
  - openmm=7.5.1=py39h8d72adf_1_khronos
  - openssl=1.1.1l=h0d85af4_0
  - packaging=21.3=pyhd3eb1b0_0
  - pandas=1.4.1=py39he9d5cce_0
  - pandocfilters=1.5.0=pyhd3eb1b0_0
  - parso=0.8.3=pyhd3eb1b0_0
  - pdbfixer=1.6=py_1
  - pexpect=4.8.0=pyhd3eb1b0_3
  - pickleshare=0.7.5=pyhd3eb1b0_1003
  - pillow=8.4.0=py39h98e4679_0
  - pip=21.1.3=py39hecd8cb5_0
  - prometheus_client=0.13.1=pyhd3eb1b0_0
  - prompt-toolkit=3.0.20=pyhd3eb1b0_0
  - prompt_toolkit=3.0.20=hd3eb1b0_0
  - ptyprocess=0.7.0=pyhd3eb1b0_2
  - pycosat=0.6.3=py39h9ed2024_0
  - pycparser=2.20=py_2
  - pygments=2.11.2=pyhd3eb1b0_0
  - pyopenssl=20.0.1=pyhd3eb1b0_1
  - pyparsing=3.0.4=pyhd3eb1b0_0
  - pyqt=5.9.2=py39h23ab428_6
  - pyrsistent=0.18.0=py39hca72f7f_0
  - pysocks=1.7.1=py39hecd8cb5_0
  - python=3.9.5=h88f2d9e_3
  - python-dateutil=2.8.2=pyhd3eb1b0_0
  - python.app=3=py39h9ed2024_0
  - python_abi=3.9=2_cp39
  - pytorch=1.10.1=py3.9_0
  - pytz=2021.3=pyhd3eb1b0_0
  - pyzmq=22.3.0=py39he9d5cce_2
  - qt=5.9.7=h468cd18_1
  - qtconsole=5.2.2=pyhd3eb1b0_0
  - qtpy=1.11.2=pyhd3eb1b0_0
  - readline=8.1=h9ed2024_0
  - requests=2.25.1=pyhd3eb1b0_0
  - ruamel_yaml=0.15.100=py39h9ed2024_0
  - send2trash=1.8.0=pyhd3eb1b0_1
  - setuptools=52.0.0=py39hecd8cb5_0
  - sip=4.19.13=py39h23ab428_0
  - six=1.16.0=pyhd3eb1b0_0
  - sqlite=3.36.0=hce871da_0
  - terminado=0.13.1=py39hecd8cb5_0
  - testpath=0.5.0=pyhd3eb1b0_0
  - tk=8.6.10=hb0a8c7a_0
  - torchaudio=0.10.1=py39_cpu
  - torchvision=0.11.2=py39_cpu
  - tornado=6.1=py39h9ed2024_0
  - tqdm=4.61.2=pyhd3eb1b0_1
  - traitlets=5.1.1=pyhd3eb1b0_0
  - typing-extensions=3.10.0.2=hd3eb1b0_0
  - typing_extensions=3.10.0.2=pyh06a4308_0
  - tzdata=2021a=h52ac0ba_0
  - urllib3=1.26.6=pyhd3eb1b0_1
  - wcwidth=0.2.5=pyhd3eb1b0_0
  - webencodings=0.5.1=py39hecd8cb5_1
  - wheel=0.36.2=pyhd3eb1b0_0
  - widgetsnbextension=3.5.2=py39hecd8cb5_0
  - xz=5.2.5=h1de35cc_0
  - yaml=0.2.5=haf1e3a3_0
  - zeromq=4.3.4=h23ab428_0
  - zipp=3.7.0=pyhd3eb1b0_0
  - zlib=1.2.11=h1de35cc_3
  - zstd=1.4.9=h322a384_0
  - pip:
    - biopython==1.79
    - cloudpickle==2.0.0
    - deepchem==2.6.1
    - dgl==0.6.1
    - dgllife==0.2.9
    - future==0.18.2
    - hyperopt==0.2.7
    - joblib==1.1.0
    - py4j==0.10.9.3
    - rdkit-pypi==2021.9.5.1
    - scikit-learn==1.0.2
    - scipy==1.8.0
    - simtk==0.1.0
    - threadpoolctl==3.1.0
prefix: /Users/nishita/miniconda3