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environment.yml
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name: rdkit3
channels:
- rdkit
- defaults
dependencies:
- argcomplete=1.12.3=pyhd3eb1b0_0
- argon2-cffi=20.1.0=py37h2bbff1b_1
- async_generator=1.10=py37h28b3542_0
- attrs=21.2.0=pyhd3eb1b0_0
- backcall=0.2.0=pyhd3eb1b0_0
- blas=1.0=mkl
- bleach=4.0.0=pyhd3eb1b0_0
- bottleneck=1.3.2=py37h2a96729_1
- ca-certificates=2021.9.30=haa95532_1
- cairo=1.14.12=hf171d8a_3
- certifi=2021.10.8=py37haa95532_0
- cffi=1.14.6=py37h2bbff1b_0
- colorama=0.4.4=pyhd3eb1b0_0
- debugpy=1.4.1=py37hd77b12b_0
- decorator=5.1.0=pyhd3eb1b0_0
- defusedxml=0.7.1=pyhd3eb1b0_0
- entrypoints=0.3=py37_0
- freetype=2.10.4=hd328e21_0
- icu=58.2=ha925a31_3
- importlib-metadata=4.8.1=py37haa95532_0
- importlib_metadata=4.8.1=hd3eb1b0_0
- intel-openmp=2021.3.0=haa95532_3372
- ipykernel=6.4.1=py37haa95532_1
- ipython=7.27.0=py37hd4e2768_0
- ipython_genutils=0.2.0=pyhd3eb1b0_1
- jedi=0.18.0=py37haa95532_1
- jinja2=3.0.1=pyhd3eb1b0_0
- jpeg=9d=h2bbff1b_0
- jsonschema=3.2.0=pyhd3eb1b0_2
- jupyter_client=7.0.1=pyhd3eb1b0_0
- jupyter_core=4.8.1=py37haa95532_0
- jupyterlab_pygments=0.1.2=py_0
- libboost=1.67.0=hd9e427e_4
- libpng=1.6.37=h2a8f88b_0
- libtiff=4.2.0=hd0e1b90_0
- libwebp=1.2.0=h2bbff1b_0
- lz4-c=1.9.3=h2bbff1b_1
- m2w64-gcc-libgfortran=5.3.0=6
- m2w64-gcc-libs=5.3.0=7
- m2w64-gcc-libs-core=5.3.0=7
- m2w64-gmp=6.1.0=2
- m2w64-libwinpthread-git=5.0.0.4634.697f757=2
- markupsafe=2.0.1=py37h2bbff1b_0
- matplotlib-inline=0.1.2=pyhd3eb1b0_2
- mistune=0.8.4=py37hfa6e2cd_1001
- mkl=2021.3.0=haa95532_524
- mkl-service=2.4.0=py37h2bbff1b_0
- mkl_fft=1.3.1=py37h277e83a_0
- mkl_random=1.2.2=py37hf11a4ad_0
- msys2-conda-epoch=20160418=1
- nb_conda_kernels=2.3.1=py37haa95532_0
- nbclient=0.5.3=pyhd3eb1b0_0
- nbconvert=6.1.0=py37haa95532_0
- nbformat=5.1.3=pyhd3eb1b0_0
- nest-asyncio=1.5.1=pyhd3eb1b0_0
- notebook=6.4.3=py37haa95532_0
- numexpr=2.7.3=py37hb80d3ca_1
- numpy=1.21.2=py37hfca59bb_0
- numpy-base=1.21.2=py37h0829f74_0
- olefile=0.46=py37_0
- openssl=1.1.1l=h2bbff1b_0
- packaging=21.0=pyhd3eb1b0_0
- pandas=1.3.3=py37h6214cd6_0
- pandocfilters=1.4.3=py37haa95532_1
- parso=0.8.2=pyhd3eb1b0_0
- pickleshare=0.7.5=pyhd3eb1b0_1003
- pillow=8.4.0=py37hd45dc43_0
- pip=21.2.4=py37haa95532_0
- pixman=0.40.0=h2bbff1b_1
- prometheus_client=0.11.0=pyhd3eb1b0_0
- prompt-toolkit=3.0.20=pyhd3eb1b0_0
- py-boost=1.67.0=py37h8300f20_4
- pycparser=2.20=py_2
- pygments=2.10.0=pyhd3eb1b0_0
- pyparsing=2.4.7=pyhd3eb1b0_0
- pyrsistent=0.17.3=py37he774522_0
- python=3.7.11=h6244533_0
- python-dateutil=2.8.2=pyhd3eb1b0_0
- pytz=2021.3=pyhd3eb1b0_0
- pywin32=228=py37hbaba5e8_1
- pywinpty=0.5.7=py37_0
- pyzmq=22.2.1=py37hd77b12b_1
- rdkit=2020.09.1.0=py37h3d1ada6_1
- send2trash=1.8.0=pyhd3eb1b0_1
- setuptools=58.0.4=py37haa95532_0
- six=1.16.0=pyhd3eb1b0_0
- sqlite=3.36.0=h2bbff1b_0
- terminado=0.9.4=py37haa95532_0
- testpath=0.5.0=pyhd3eb1b0_0
- tk=8.6.11=h2bbff1b_0
- tornado=6.1=py37h2bbff1b_0
- traitlets=5.1.0=pyhd3eb1b0_0
- typing_extensions=3.10.0.2=pyh06a4308_0
- vc=14.2=h21ff451_1
- vs2015_runtime=14.27.29016=h5e58377_2
- wcwidth=0.2.5=pyhd3eb1b0_0
- webencodings=0.5.1=py37_1
- wheel=0.37.0=pyhd3eb1b0_1
- wincertstore=0.2=py37haa95532_2
- winpty=0.4.3=4
- xz=5.2.5=h62dcd97_0
- zipp=3.6.0=pyhd3eb1b0_0
- zlib=1.2.11=h62dcd97_4
- zstd=1.4.9=h19a0ad4_0
- pip:
- about-time==3.1.1
- alive-progress==2.1.0
- appdirs==1.4.4
- beautifulsoup4==4.10.0
- bioservices==1.8.2
- cattrs==1.8.0
- charset-normalizer==2.0.7
- chemspipy==2.0.0
- colorlog==6.5.0
- easydev==0.12.0
- gevent==21.8.0
- grapheme==0.6.0
- greenlet==1.1.2
- grequests==0.6.0
- idna==3.3
- lxml==4.6.3
- pexpect==4.8.0
- ptyprocess==0.7.0
- pubchempy==1.0.4
- pymysql==1.0.2
- requests==2.26.0
- requests-cache==0.8.1
- soupsieve==2.2.1
- suds-community==0.8.5
- url-normalize==1.4.3
- urllib3==1.26.7
- wrapt==1.13.2
- xmltodict==0.12.0
- zope-event==4.5.0
- zope-interface==5.4.0
prefix: C:\Anaconda3\envs\rdkit3