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my-rdkit-env.yml
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name: my-rdkit-env
channels:
- anaconda
- conda-forge
- defaults
dependencies:
- anyio=3.6.1=py310h5588dad_0
- argon2-cffi=21.3.0=pyhd8ed1ab_0
- argon2-cffi-bindings=21.2.0=py310he2412df_2
- asttokens=2.0.5=pyhd8ed1ab_0
- attrs=21.4.0=pyhd8ed1ab_0
- babel=2.10.1=pyhd8ed1ab_0
- backcall=0.2.0=pyh9f0ad1d_0
- backports=1.0=py_2
- backports.functools_lru_cache=1.6.4=pyhd8ed1ab_0
- beautifulsoup4=4.11.1=pyha770c72_0
- blas=1.0=mkl
- bleach=5.0.0=pyhd8ed1ab_0
- boost=1.74.0=py310hc781a3c_5
- boost-cpp=1.74.0=h9f4b32c_8
- brotli=1.0.9=h8ffe710_7
- brotli-bin=1.0.9=h8ffe710_7
- brotlipy=0.7.0=py310he2412df_1004
- bzip2=1.0.8=h8ffe710_4
- ca-certificates=2023.05.30=haa95532_0
- cairo=1.16.0=h0ac17fb_1011
- certifi=2023.7.22=py310haa95532_0
- cffi=1.15.0=py310hcbf9ad4_0
- charset-normalizer=2.0.12=pyhd8ed1ab_0
- chembl_structure_pipeline=1.0.0=pyh9f0ad1d_0
- colorama=0.4.4=pyh9f0ad1d_0
- cryptography=37.0.1=py310h21b164f_0
- cycler=0.11.0=pyhd8ed1ab_0
- debugpy=1.6.0=py310h8a704f9_0
- decorator=5.1.1=pyhd8ed1ab_0
- defusedxml=0.7.1=pyhd8ed1ab_0
- entrypoints=0.4=pyhd8ed1ab_0
- executing=0.8.3=pyhd8ed1ab_0
- expat=2.4.8=h39d44d4_0
- flit-core=3.7.1=pyhd8ed1ab_0
- 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=hab24e00_0
- fontconfig=2.14.0=hce3cb01_0
- fonts-conda-ecosystem=1=0
- fonts-conda-forge=1=0
- fonttools=4.33.3=py310he2412df_0
- freetype=2.10.4=h546665d_1
- gettext=0.19.8.1=ha2e2712_1008
- greenlet=1.1.2=py310h8a704f9_2
- icc_rt=2019.0.0=h0cc432a_1
- icu=70.1=h0e60522_0
- idna=3.3=pyhd8ed1ab_0
- importlib-metadata=4.11.4=py310h5588dad_0
- importlib_metadata=4.11.4=hd8ed1ab_0
- importlib_resources=5.7.1=pyhd8ed1ab_1
- intel-openmp=2021.4.0=haa95532_3556
- ipykernel=6.13.1=py310hbbfc1a7_0
- ipython=8.4.0=py310h5588dad_0
- ipython_genutils=0.2.0=py_1
- jedi=0.18.1=py310h5588dad_1
- jinja2=3.1.2=pyhd8ed1ab_1
- jpeg=9e=h8ffe710_1
- json5=0.9.5=pyh9f0ad1d_0
- jsonschema=4.6.0=pyhd8ed1ab_0
- jupyter_client=7.3.3=pyhd8ed1ab_0
- jupyter_core=4.10.0=py310h5588dad_0
- jupyter_server=1.17.1=pyhd8ed1ab_0
- jupyterlab=3.4.3=pyhd8ed1ab_0
- jupyterlab_pygments=0.2.2=pyhd8ed1ab_0
- jupyterlab_server=2.14.0=pyhd8ed1ab_0
- kiwisolver=1.4.2=py310h476a331_1
- lcms2=2.12=h2a16943_0
- lerc=3.0=h0e60522_0
- libbrotlicommon=1.0.9=h8ffe710_7
- libbrotlidec=1.0.9=h8ffe710_7
- libbrotlienc=1.0.9=h8ffe710_7
- libdeflate=1.10=h8ffe710_0
- libffi=3.4.2=h8ffe710_5
- libglib=2.70.2=h3be07f2_4
- libiconv=1.16=he774522_0
- libpng=1.6.37=h1d00b33_2
- libsodium=1.0.18=h8d14728_1
- libtiff=4.3.0=hc4061b1_4
- libwebp=1.2.2=h57928b3_0
- libwebp-base=1.2.2=h8ffe710_1
- libxcb=1.13=hcd874cb_1004
- libzlib=1.2.12=h8ffe710_0
- lz4-c=1.9.3=h8ffe710_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=2.1.1=py310he2412df_1
- matplotlib-base=3.5.2=py310h79a7439_0
- matplotlib-inline=0.1.3=pyhd8ed1ab_0
- mistune=0.8.4=py310he2412df_1005
- mkl=2021.4.0=haa95532_640
- mkl-service=2.4.0=py310h2bbff1b_0
- mkl_fft=1.3.1=py310ha0764ea_0
- mkl_random=1.2.2=py310h4ed8f06_0
- msys2-conda-epoch=20160418=1
- munkres=1.1.4=pyh9f0ad1d_0
- nbclassic=0.3.7=pyhd8ed1ab_0
- nbclient=0.6.4=pyhd8ed1ab_1
- nbconvert=6.5.0=pyhd8ed1ab_0
- nbconvert-core=6.5.0=pyhd8ed1ab_0
- nbconvert-pandoc=6.5.0=pyhd8ed1ab_0
- nbformat=5.4.0=pyhd8ed1ab_0
- nest-asyncio=1.5.5=pyhd8ed1ab_0
- notebook=6.4.12=pyha770c72_0
- notebook-shim=0.1.0=pyhd8ed1ab_0
- numpy=1.22.3=py310h6d2d95c_0
- numpy-base=1.22.3=py310h206c741_0
- openjpeg=2.4.0=hb211442_1
- openssl=3.0.10=h2bbff1b_2
- packaging=21.3=pyhd8ed1ab_0
- pandas=1.4.2=py310hf5e1058_2
- pandoc=2.18=h57928b3_0
- pandocfilters=1.5.0=pyhd8ed1ab_0
- parso=0.8.3=pyhd8ed1ab_0
- patsy=0.5.2=py310haa95532_1
- pcre=8.45=h0e60522_0
- pickleshare=0.7.5=py_1003
- pillow=9.1.1=py310h767b3fd_0
- pip=22.1.2=pyhd8ed1ab_0
- pixman=0.40.0=h8ffe710_0
- prometheus_client=0.14.1=pyhd8ed1ab_0
- prompt-toolkit=3.0.29=pyha770c72_0
- psutil=5.9.1=py310he2412df_0
- pthread-stubs=0.4=hcd874cb_1001
- pure_eval=0.2.2=pyhd8ed1ab_0
- pycairo=1.21.0=py310h3255e4b_1
- pycparser=2.21=pyhd8ed1ab_0
- pygments=2.12.0=pyhd8ed1ab_0
- pyopenssl=22.0.0=pyhd8ed1ab_0
- pyparsing=3.0.9=pyhd8ed1ab_0
- pyrsistent=0.18.1=py310he2412df_1
- pysocks=1.7.1=py310h5588dad_5
- python=3.10.4=hcf16a7b_0_cpython
- python-dateutil=2.8.2=pyhd8ed1ab_0
- python-fastjsonschema=2.15.3=pyhd8ed1ab_0
- python_abi=3.10=2_cp310
- pytz=2022.1=pyhd8ed1ab_0
- pywin32=303=py310he2412df_0
- pywinpty=2.0.5=py310h00ffb61_1
- pyzmq=23.1.0=py310h73ada01_0
- rdkit=2022.03.3=py310hc4884e0_0
- reportlab=3.5.68=py310h0e7cf82_1
- requests=2.27.1=pyhd8ed1ab_0
- send2trash=1.8.0=pyhd8ed1ab_0
- setuptools=62.3.3=py310h5588dad_0
- six=1.16.0=pyh6c4a22f_0
- sniffio=1.2.0=py310h5588dad_3
- soupsieve=2.3.1=pyhd8ed1ab_0
- sqlalchemy=1.4.37=py310he2412df_0
- sqlite=3.38.5=h8ffe710_0
- stack_data=0.2.0=pyhd8ed1ab_0
- statsmodels=0.13.2=py310h2bbff1b_0
- tbb=2021.5.0=h2d74725_1
- terminado=0.15.0=py310h5588dad_0
- tinycss2=1.1.1=pyhd8ed1ab_0
- tk=8.6.12=h8ffe710_0
- tornado=6.1=py310he2412df_3
- traitlets=5.2.2.post1=pyhd8ed1ab_0
- tzdata=2022a=h191b570_0
- ucrt=10.0.20348.0=h57928b3_0
- unicodedata2=14.0.0=py310he2412df_1
- urllib3=1.26.9=pyhd8ed1ab_0
- vc=14.2=hb210afc_6
- vs2015_runtime=14.29.30037=h902a5da_6
- wcwidth=0.2.5=pyh9f0ad1d_2
- webencodings=0.5.1=py_1
- websocket-client=1.3.2=pyhd8ed1ab_0
- wheel=0.37.1=pyhd8ed1ab_0
- win_inet_pton=1.1.0=py310h5588dad_4
- winpty=0.4.3=4
- xorg-libxau=1.0.9=hcd874cb_0
- xorg-libxdmcp=1.1.3=hcd874cb_0
- xz=5.2.5=h62dcd97_1
- zeromq=4.3.4=h0e60522_1
- zipp=3.8.0=pyhd8ed1ab_0
- zlib=1.2.12=h8ffe710_0
- zstd=1.5.2=h6255e5f_1
- pip:
- category-encoders==2.6.3
- chembl-downloader==0.4.3
- chembl-webresource-client==0.10.8
- click==8.1.7
- easydict==1.9
- imbalanced-learn==0.11.0
- ipywidgets==7.7.5
- itsdangerous==2.1.2
- joblib==1.1.0
- jupyterlab-widgets==1.1.4
- mlxtend==0.22.0
- mols2grid==1.1.1
- more-click==0.1.2
- pubchempy==1.0.4
- pystow==0.5.0
- pyyaml==6.0
- requests-cache==0.7.5
- scikit-learn==1.1.2
- scipy==1.9.1
- threadpoolctl==3.1.0
- tqdm==4.66.1
- typing-extensions==4.8.0
- url-normalize==1.4.3
- widgetsnbextension==3.6.4
prefix: C:\Users\rafae\miniconda3\envs\my-rdkit-env