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mmp_environment.yml
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mmp_environment.yml
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name: rdkit_ml
channels:
- conda-forge
- defaults
dependencies:
- _py-xgboost-mutex=2.0=cpu_0
- blas=1.0=mkl
- boost=1.74.0=py310hc781a3c_5
- boost-cpp=1.74.0=h9f4b32c_8
- brotli=1.0.9=hcfcfb64_9
- brotli-bin=1.0.9=hcfcfb64_9
- brotli-python=1.0.9=py310h00ffb61_9
- bzip2=1.0.8=h8ffe710_4
- ca-certificates=2023.08.22=haa95532_0
- cairo=1.16.0=hba8bd2f_1007
- cairocffi=1.6.1=pyhd8ed1ab_0
- cairosvg=2.7.1=pyhd8ed1ab_0
- certifi=2023.7.22=py310haa95532_0
- cffi=1.15.1=py310h628cb3f_3
- charset-normalizer=3.2.0=pyhd8ed1ab_0
- cloudpickle=2.2.1=py310haa95532_0
- colorama=0.4.6=py310haa95532_0
- cssselect2=0.2.1=pyh9f0ad1d_1
- cycler=0.11.0=pyhd8ed1ab_0
- defusedxml=0.7.1=pyhd8ed1ab_0
- fonttools=4.42.0=py310h8d17308_0
- freetype=2.10.4=h546665d_2
- gettext=0.21.1=h5728263_0
- giflib=5.2.1=h64bf75a_3
- greenlet=2.0.2=py310h00ffb61_1
- icc_rt=2022.1.0=h6049295_2
- icu=68.2=h0e60522_0
- idna=3.4=pyhd8ed1ab_0
- intel-openmp=2023.2.0=h57928b3_49496
- joblib=1.3.0=pyhd8ed1ab_1
- jpeg=9e=hcfcfb64_3
- kiwisolver=1.4.4=py310h232114e_1
- lerc=4.0.0=h63175ca_0
- libbrotlicommon=1.0.9=hcfcfb64_9
- libbrotlidec=1.0.9=hcfcfb64_9
- libbrotlienc=1.0.9=hcfcfb64_9
- libdeflate=1.18=hcfcfb64_0
- libffi=3.4.2=h8ffe710_5
- libglib=2.76.4=he8f3873_0
- libhwloc=2.9.2=nocuda_h15da153_1008
- libiconv=1.17=h8ffe710_0
- libllvm14=14.0.6=h4157e71_3
- libpng=1.6.39=h19919ed_0
- libsqlite=3.42.0=hcfcfb64_0
- libtiff=4.5.0=h8a3f274_0
- libwebp=1.2.4=hbc33d0d_1
- libwebp-base=1.2.4=h2bbff1b_1
- libxgboost=1.7.3=hd77b12b_0
- libxml2=2.11.4=hc3477c8_0
- libzlib=1.2.13=hcfcfb64_5
- llvmlite=0.40.0=py310hf2fb9eb_0
- 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
- matplotlib-base=3.7.1=py310h4ed8f06_1
- mkl=2023.1.0=h6b88ed4_46357
- mkl-service=2.4.0=py310h2bbff1b_1
- mkl_fft=1.3.6=py310h4ed8f06_1
- mkl_random=1.2.2=py310h4ed8f06_1
- msys2-conda-epoch=20160418=1
- munkres=1.1.4=pyh9f0ad1d_0
- numba=0.57.0=py310h4ed8f06_0
- numpy=1.24.3=py310h055cbcc_1
- numpy-base=1.24.3=py310h65a83cf_1
- openssl=3.1.2=hcfcfb64_0
- packaging=23.1=pyhd8ed1ab_0
- pandas=2.0.3=py310h1c4a608_1
- patsy=0.5.3=pyhd8ed1ab_0
- pcre2=10.40=h17e33f8_0
- pip=23.2.1=py310haa95532_0
- pixman=0.40.0=h8ffe710_0
- platformdirs=3.10.0=pyhd8ed1ab_0
- pooch=1.7.0=pyha770c72_3
- pthreads-win32=2.9.1=hfa6e2cd_3
- py-xgboost=1.7.3=py310haa95532_0
- pycairo=1.24.0=py310h42c1a3e_0
- pycparser=2.21=pyhd8ed1ab_0
- pyparsing=3.0.9=py310haa95532_0
- pysocks=1.7.1=pyh0701188_6
- python=3.10.12=h4de0772_0_cpython
- python-dateutil=2.8.2=pyhd8ed1ab_0
- python-tzdata=2023.3=pyhd8ed1ab_0
- python_abi=3.10=3_cp310
- pytz=2023.3=pyhd8ed1ab_0
- rdkit=2022.03.5=py310hc4884e0_0
- reportlab=3.6.12=py310h2bbff1b_0
- requests=2.31.0=pyhd8ed1ab_0
- scikit-learn=1.3.0=py310hd266714_0
- scipy=1.11.1=py310h309d312_0
- seaborn=0.12.2=hd8ed1ab_0
- seaborn-base=0.12.2=pyhd8ed1ab_0
- setuptools=68.0.0=pyhd8ed1ab_0
- shap=0.42.1=py310h1c4a608_0
- six=1.16.0=pyh6c4a22f_0
- slicer=0.0.7=pyhd3eb1b0_0
- sqlalchemy=2.0.19=py310h8d17308_0
- statsmodels=0.14.0=py310h9b08ddd_1
- tbb=2021.10.0=h91493d7_0
- threadpoolctl=3.2.0=pyha21a80b_0
- tinycss2=1.2.1=pyhd8ed1ab_0
- tk=8.6.12=h8ffe710_0
- tqdm=4.65.0=py310h9909e9c_0
- typing_extensions=4.7.1=py310haa95532_0
- tzdata=2023c=h71feb2d_0
- ucrt=10.0.22621.0=h57928b3_0
- unicodedata2=15.0.0=py310h8d17308_0
- vc=14.3=h64f974e_17
- vc14_runtime=14.36.32532=hfdfe4a8_17
- vs2015_runtime=14.36.32532=h05e6639_17
- wheel=0.41.1=pyhd8ed1ab_0
- win_inet_pton=1.1.0=pyhd8ed1ab_6
- xgboost=1.7.3=py310haa95532_0
- xz=5.2.6=h8d14728_0
- zlib=1.2.13=hcfcfb64_5
- zstd=1.5.2=h12be248_7
- pip:
- absl-py==1.4.0
- anyio==3.7.1
- argon2-cffi==21.3.0
- argon2-cffi-bindings==21.2.0
- arrow==1.2.3
- asttokens==2.2.1
- astunparse==1.6.3
- async-lru==2.0.4
- attrs==23.1.0
- babel==2.12.1
- backcall==0.2.0
- beautifulsoup4==4.12.2
- bleach==6.0.0
- cachetools==5.3.1
- comm==0.1.4
- contourpy==1.1.0
- debugpy==1.6.7
- decorator==5.1.1
- exceptiongroup==1.1.2
- executing==1.2.0
- fastjsonschema==2.18.0
- flatbuffers==23.5.26
- fqdn==1.5.1
- gast==0.4.0
- google-auth==2.22.0
- google-auth-oauthlib==1.0.0
- google-pasta==0.2.0
- grpcio==1.57.0
- h5py==3.9.0
- ipykernel==6.25.1
- ipython==8.14.0
- ipython-genutils==0.2.0
- ipywidgets==8.1.0
- isoduration==20.11.0
- jedi==0.19.0
- jinja2==3.1.2
- json5==0.9.14
- jsonpointer==2.4
- jsonschema==4.19.0
- jsonschema-specifications==2023.7.1
- jupyter==1.0.0
- jupyter-client==8.3.0
- jupyter-console==6.6.3
- jupyter-core==5.3.1
- jupyter-events==0.7.0
- jupyter-lsp==2.2.0
- jupyter-server==2.7.0
- jupyter-server-terminals==0.4.4
- jupyterlab==4.0.4
- jupyterlab-pygments==0.2.2
- jupyterlab-server==2.24.0
- jupyterlab-widgets==3.0.8
- keras==2.13.1
- libclang==16.0.6
- markdown==3.4.4
- markupsafe==2.1.3
- matplotlib==3.7.2
- matplotlib-inline==0.1.6
- mistune==3.0.1
- nbclient==0.8.0
- nbconvert==7.7.3
- nbformat==5.9.2
- nest-asyncio==1.5.7
- notebook==7.0.2
- notebook-shim==0.2.3
- oauthlib==3.2.2
- opt-einsum==3.3.0
- overrides==7.4.0
- pandocfilters==1.5.0
- parso==0.8.3
- pickleshare==0.7.5
- pillow==9.0.0
- prometheus-client==0.17.1
- prompt-toolkit==3.0.39
- protobuf==4.24.0
- psutil==5.9.5
- pure-eval==0.2.2
- pyasn1==0.5.0
- pyasn1-modules==0.3.0
- pygments==2.16.1
- python-json-logger==2.0.7
- pywin32==306
- pywinpty==2.0.11
- pyyaml==6.0.1
- pyzmq==25.1.0
- qtconsole==5.4.3
- qtpy==2.3.1
- rbo==0.1.3
- referencing==0.30.2
- requests-oauthlib==1.3.1
- rfc3339-validator==0.1.4
- rfc3986-validator==0.1.1
- rpds-py==0.9.2
- rsa==4.9
- send2trash==1.8.2
- sniffio==1.3.0
- soupsieve==2.4.1
- stack-data==0.6.2
- tensorboard==2.13.0
- tensorboard-data-server==0.7.1
- tensorflow==2.13.0
- tensorflow-estimator==2.13.0
- tensorflow-intel==2.13.0
- tensorflow-io-gcs-filesystem==0.31.0
- termcolor==2.3.0
- terminado==0.17.1
- tomli==2.0.1
- tornado==6.3.2
- traitlets==5.9.0
- typing-extensions==4.5.0
- uri-template==1.3.0
- urllib3==1.26.16
- wcwidth==0.2.6
- webcolors==1.13
- webencodings==0.5.1
- websocket-client==1.6.1
- werkzeug==2.3.6
- widgetsnbextension==4.0.8
- wrapt==1.15.0
prefix: C:\Users\janela\Anaconda3\envs\rdkit_ml