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chem_env.yml
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name: chem
channels:
- rdkit
- huggingface
- conda-forge
- defaults
dependencies:
- abseil-cpp=20200923.3=h23ab428_0
- absl-py=1.3.0=py37hecd8cb5_0
- aiohttp=3.8.1=py37hca72f7f_1
- aiosignal=1.2.0=pyhd3eb1b0_0
- astor=0.8.1=py37hecd8cb5_0
- astunparse=1.6.3=py_0
- async-timeout=4.0.2=py37hecd8cb5_0
- asynctest=0.13.0=py_0
- attrs=21.4.0=pyhd3eb1b0_0
- backcall=0.2.0=pyhd3eb1b0_0
- blas=1.0=mkl
- blinker=1.4=py37hecd8cb5_0
- bottleneck=1.3.5=py37h67323c0_0
- brotlipy=0.7.0=py37h9ed2024_1003
- bzip2=1.0.8=h1de35cc_0
- c-ares=1.18.1=hca72f7f_0
- ca-certificates=2022.9.24=h033912b_0
- cachetools=4.2.2=pyhd3eb1b0_0
- cairo=1.16.0=h691a603_2
- certifi=2022.9.24=pyhd8ed1ab_0
- cffi=1.15.1=py37hc55c11b_0
- charset-normalizer=2.0.4=pyhd3eb1b0_0
- click=8.0.4=py37hecd8cb5_0
- conda-pack=0.7.0=pyh6c4a22f_0
- coverage=6.3.2=py37hca72f7f_0
- cryptography=38.0.1=py37hf6deb26_0
- cython=0.29.32=py37he9d5cce_0
- dataclasses=0.8=pyh6d0b6a4_7
- decorator=5.1.1=pyhd3eb1b0_0
- deepchem=2.6.1=pyhd8ed1ab_0
- entrypoints=0.4=py37hecd8cb5_0
- fftw=3.3.9=h9ed2024_1
- filelock=3.6.0=pyhd3eb1b0_0
- fontconfig=2.13.1=hb62acd4_1
- freetype=2.12.1=hd8bbffd_0
- frozenlist=1.2.0=py37hca72f7f_0
- future=0.18.2=py37_1
- gast=0.3.3=py_0
- gettext=0.21.0=h7535e17_0
- giflib=5.2.1=haf1e3a3_0
- glib=2.69.1=h8346a28_1
- google-auth=2.6.0=pyhd3eb1b0_0
- google-auth-oauthlib=0.5.2=py37hecd8cb5_0
- google-pasta=0.2.0=pyhd3eb1b0_0
- grpc-cpp=1.36.4=h33525da_1
- grpcio=1.36.1=py37h97de6d8_1
- h5py=2.10.0=py37h0601b69_1
- hdf5=1.10.6=h10fe05b_1
- huggingface_hub=0.10.1=py_0
- icu=58.2=h0a44026_3
- idna=3.4=py37hecd8cb5_0
- importlib-metadata=4.11.3=py37hecd8cb5_0
- importlib_metadata=4.11.3=hd3eb1b0_0
- importlib_resources=5.10.0=pyhd8ed1ab_0
- intel-openmp=2021.4.0=hecd8cb5_3538
- jedi=0.18.1=py37hecd8cb5_1
- joblib=1.1.1=py37hecd8cb5_0
- jpeg=9e=hca72f7f_0
- jupyter_client=7.3.5=py37hecd8cb5_0
- jupyter_core=4.11.1=py37hecd8cb5_0
- keras-preprocessing=1.1.2=pyhd3eb1b0_0
- krb5=1.19.2=hcd88c3b_0
- lcms2=2.12=hf1fd2bf_0
- lerc=3.0=he9d5cce_0
- libboost=1.73.0=h3fa6bed_12
- libcurl=7.85.0=h6dfd666_0
- libcxx=14.0.6=h9765a3e_0
- libdeflate=1.8=h9ed2024_5
- libedit=3.1.20210910=hca72f7f_0
- libev=4.33=h9ed2024_1
- libffi=3.3=hb1e8313_2
- libgfortran=5.0.0=11_3_0_hecd8cb5_28
- libgfortran5=11.3.0=h9dfd629_28
- libiconv=1.16=hca72f7f_2
- libnghttp2=1.46.0=ha29bfda_0
- libpng=1.6.37=ha441bb4_0
- libprotobuf=3.15.8=hcf210ce_1
- libsodium=1.0.18=h1de35cc_0
- libssh2=1.10.0=h0a4fc7d_0
- libtiff=4.4.0=h2ef1027_1
- libwebp=1.2.4=h56c3ce4_0
- libwebp-base=1.2.4=hca72f7f_0
- libxml2=2.9.14=hbf8cd5e_0
- llvm-openmp=14.0.6=h0dcd299_0
- lz4-c=1.9.3=h23ab428_1
- markdown=3.3.4=py37hecd8cb5_0
- markupsafe=2.1.1=py37h69ee0a8_1
- matplotlib-inline=0.1.6=py37hecd8cb5_0
- mkl=2021.4.0=hecd8cb5_637
- mkl-service=2.4.0=py37h9ed2024_0
- mkl_fft=1.3.1=py37h4ab4a9b_0
- mkl_random=1.2.2=py37hb2f4e1b_0
- multidict=6.0.2=py37hca72f7f_0
- ncurses=6.3=hca72f7f_3
- ninja=1.10.2=hecd8cb5_5
- ninja-base=1.10.2=haf03e11_5
- numexpr=2.8.3=py37h2e5f0a9_0
- numpy=1.21.5=py37h2e5f0a9_3
- numpy-base=1.21.5=py37h3b1a694_3
- oauthlib=3.2.1=py37hecd8cb5_0
- openssl=1.1.1s=hfd90126_0
- opt_einsum=3.3.0=pyhd3eb1b0_1
- packaging=21.3=pyhd3eb1b0_0
- pandas=1.3.5=py37h743cdd8_0
- parso=0.8.3=pyhd3eb1b0_0
- pcre=8.45=h23ab428_0
- pexpect=4.8.0=pyhd3eb1b0_3
- pickleshare=0.7.5=pyhd3eb1b0_1003
- pillow=9.2.0=py37hde71d04_1
- pip=22.2.2=py37hecd8cb5_0
- pixman=0.40.0=h9ed2024_1
- protobuf=3.15.8=py37hd8d24ac_0
- ptyprocess=0.7.0=pyhd3eb1b0_2
- py-boost=1.73.0=py37hae1ba45_12
- pyasn1=0.4.8=pyhd3eb1b0_0
- pyasn1-modules=0.2.8=py_0
- pycparser=2.21=pyhd3eb1b0_0
- pyjwt=2.4.0=py37hecd8cb5_0
- pyopenssl=22.0.0=pyhd3eb1b0_0
- pyparsing=3.0.9=py37hecd8cb5_0
- pysocks=1.7.1=py37hecd8cb5_0
- python=3.7.7=hf48f09d_4
- python-dateutil=2.8.2=pyhd3eb1b0_0
- python-flatbuffers=1.12=pyhd3eb1b0_0
- python_abi=3.7=2_cp37m
- pytorch=1.10.2=cpu_py37h903acac_0
- pytz=2022.1=py37hecd8cb5_0
- pyyaml=6.0=py37hca72f7f_1
- rdkit=2020.09.1.0=py37h81f2deb_1
- re2=2021.04.01=he49afe7_0
- readline=8.2=hca72f7f_0
- regex=2022.7.9=py37hca72f7f_0
- requests=2.28.1=py37hecd8cb5_0
- requests-oauthlib=1.3.0=py_0
- rsa=4.7.2=pyhd3eb1b0_1
- sacremoses=master=py_0
- scikit-learn=1.0.2=py37hae1ba45_1
- scipy=1.7.3=py37h214d14d_2
- setuptools=65.5.0=py37hecd8cb5_0
- six=1.16.0=pyhd3eb1b0_1
- snappy=1.1.9=he9d5cce_0
- sqlite=3.39.3=h707629a_0
- tensorboard=2.4.0=pyhc547734_0
- tensorboard-plugin-wit=1.6.0=py_0
- tensorflow=2.4.0=py37hf985489_0
- tensorflow-base=2.4.0=py37h618b513_0
- tensorflow-estimator=2.4.0=pyh9656e83_0
- termcolor=1.1.0=py37hecd8cb5_1
- threadpoolctl=2.2.0=pyh0d69192_0
- tk=8.6.12=h5d9f67b_0
- tokenizers=0.13.0.dev0=py37_0
- tornado=6.2=py37hca72f7f_0
- tqdm=4.64.1=py37hecd8cb5_0
- transformers=4.24.0=py_0
- typing-extensions=4.3.0=py37hecd8cb5_0
- typing_extensions=4.3.0=py37hecd8cb5_0
- urllib3=1.26.12=py37hecd8cb5_0
- wcwidth=0.2.5=pyhd3eb1b0_0
- werkzeug=2.0.3=pyhd3eb1b0_0
- wheel=0.37.1=pyhd3eb1b0_0
- wrapt=1.14.1=py37hca72f7f_0
- xz=5.2.6=hca72f7f_0
- yaml=0.2.5=haf1e3a3_0
- yarl=1.8.1=py37hca72f7f_0
- zeromq=4.3.4=h23ab428_0
- zipp=3.8.0=py37hecd8cb5_0
- zlib=1.2.13=h4dc903c_0
- zstd=1.5.2=hcb37349_0
- pip:
- anyio==3.6.2
- appnope==0.1.3
- argon2-cffi==21.3.0
- argon2-cffi-bindings==21.2.0
- beautifulsoup4==4.11.1
- bleach==5.0.1
- cycler==0.11.0
- debugpy==1.6.3
- defusedxml==0.7.1
- dgl==0.9.1
- fastjsonschema==2.16.2
- fcd-torch==1.0.7
- fonttools==4.38.0
- ipykernel==6.16.2
- ipython==7.34.0
- ipython-genutils==0.2.0
- jinja2==3.1.2
- jsonschema==4.17.0
- jupyter-client==7.4.4
- jupyter-core==4.11.2
- jupyter-server==1.21.0
- jupyterlab-pygments==0.2.2
- kiwisolver==1.4.4
- matplotlib==3.5.3
- mistune==2.0.4
- molmass==2021.6.18
- molsets==0.3.1
- mpmath==1.2.1
- nbclassic==0.4.7
- nbclient==0.7.0
- nbconvert==7.2.3
- nbformat==5.7.0
- nest-asyncio==1.5.6
- notebook==6.5.2
- notebook-shim==0.2.0
- pandocfilters==1.5.0
- pkgutil-resolve-name==1.3.10
- pomegranate==0.12.0
- prometheus-client==0.15.0
- prompt-toolkit==3.0.31
- pygments==2.13.0
- pyrsistent==0.19.1
- pyzmq==24.0.1
- seaborn==0.12.1
- send2trash==1.8.0
- sniffio==1.3.0
- soupsieve==2.3.2.post1
- sympy==1.10.1
- terminado==0.17.0
- tinycss2==1.2.1
- torch-geometric==2.1.0.post1
- torch-scatter==2.0.9
- torch-sparse==0.6.15
- traitlets==5.5.0
- webencodings==0.5.1
- websocket-client==1.4.1
prefix: /Users/datqngo/anaconda3/envs/chem