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environment.yml
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environment.yml
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name: rxn-insight
channels:
- anaconda
- conda-forge
- defaults
dependencies:
- asttokens=2.0.5=pyhd3eb1b0_0
- backcall=0.2.0=pyhd3eb1b0_0
- boost=1.74.0=py310hc781a3c_5
- boost-cpp=1.74.0=h9f4b32c_8
- brotli=1.1.0=hcfcfb64_1
- brotli-bin=1.1.0=hcfcfb64_1
- bzip2=1.0.8=hcfcfb64_5
- ca-certificates=2023.11.17=h56e8100_0
- cairo=1.16.0=he04af86_2
- certifi=2023.11.17=pyhd8ed1ab_0
- colorama=0.4.6=py310haa95532_0
- cycler=0.12.1=pyhd8ed1ab_0
- debugpy=1.6.7=py310hd77b12b_0
- decorator=5.1.1=pyhd3eb1b0_0
- exceptiongroup=1.0.4=py310haa95532_0
- executing=0.8.3=pyhd3eb1b0_0
- fonttools=4.44.3=py310h8d17308_0
- freetype=2.10.4=h546665d_2
- gettext=0.21.1=h5728263_0
- glib=2.78.1=h12be248_1
- glib-tools=2.78.1=h12be248_1
- greenlet=3.0.1=py310h00ffb61_0
- intel-openmp=2023.2.0=h57928b3_50497
- ipykernel=6.25.0=py310h9909e9c_0
- ipython=8.15.0=py310haa95532_0
- jedi=0.18.1=py310haa95532_1
- jpeg=9e=hcfcfb64_3
- jupyter_client=8.6.0=py310haa95532_0
- jupyter_core=5.5.0=py310haa95532_0
- kiwisolver=1.4.5=py310h232114e_1
- lerc=3.0=hd77b12b_0
- libblas=3.9.0=19_win64_mkl
- libbrotlicommon=1.1.0=hcfcfb64_1
- libbrotlidec=1.1.0=hcfcfb64_1
- libbrotlienc=1.1.0=hcfcfb64_1
- libcblas=3.9.0=19_win64_mkl
- libdeflate=1.17=h2bbff1b_1
- libffi=3.4.2=h8ffe710_5
- libglib=2.78.1=h16e383f_1
- libhwloc=2.9.3=default_haede6df_1009
- libiconv=1.17=h8ffe710_0
- liblapack=3.9.0=19_win64_mkl
- libpng=1.6.39=h19919ed_0
- libsodium=1.0.18=h62dcd97_0
- libsqlite=3.44.0=hcfcfb64_0
- libtiff=4.5.1=hd77b12b_0
- libwebp=1.3.2=hcfcfb64_1
- libwebp-base=1.3.2=hcfcfb64_0
- libxml2=2.11.6=hc3477c8_0
- libzlib=1.2.13=hcfcfb64_5
- matplotlib-base=3.5.3=py310h79a7439_0
- matplotlib-inline=0.1.6=py310haa95532_0
- mkl=2023.2.0=h6a75c08_50496
- munkres=1.1.4=pyh9f0ad1d_0
- nest-asyncio=1.5.6=py310haa95532_0
- numpy=1.26.0=py310hf667824_0
- openjpeg=2.5.0=ha2aaf27_2
- openssl=3.1.4=hcfcfb64_0
- packaging=23.2=pyhd8ed1ab_0
- pandas=2.1.3=py310hecd3228_0
- parso=0.8.3=pyhd3eb1b0_0
- pcre2=10.42=h17e33f8_0
- pickleshare=0.7.5=pyhd3eb1b0_1003
- pillow=10.0.1=py310h045eedc_0
- pip=23.3.1=pyhd8ed1ab_0
- pixman=0.42.2=h63175ca_0
- platformdirs=3.10.0=py310haa95532_0
- prompt-toolkit=3.0.36=py310haa95532_0
- psutil=5.9.0=py310h2bbff1b_0
- pthreads-win32=2.9.1=hfa6e2cd_3
- pure_eval=0.2.2=pyhd3eb1b0_0
- pycairo=1.23.0=py310had253c0_0
- pygments=2.15.1=py310haa95532_1
- pyparsing=3.1.1=pyhd8ed1ab_0
- python=3.10.13=h4de0772_0_cpython
- python-dateutil=2.8.2=pyhd8ed1ab_0
- python-tzdata=2023.3=pyhd8ed1ab_0
- python_abi=3.10=4_cp310
- pytz=2023.3.post1=pyhd8ed1ab_0
- pywin32=305=py310h2bbff1b_0
- pyzmq=25.1.0=py310hd77b12b_0
- rdkit=2022.03.5=py310hc4884e0_0
- reportlab=3.6.12=py310h2bbff1b_0
- rust=1.74.0=hf8d6059_0
- rust-std-x86_64-pc-windows-msvc=1.74.0=h17fc481_0
- setuptools=68.2.2=pyhd8ed1ab_0
- six=1.16.0=pyh6c4a22f_0
- sqlalchemy=2.0.23=py310h8d17308_0
- stack_data=0.2.0=pyhd3eb1b0_0
- tbb=2021.10.0=h91493d7_2
- tk=8.6.13=h5226925_1
- tornado=6.3.3=py310h2bbff1b_0
- traitlets=5.7.1=py310haa95532_0
- typing-extensions=4.8.0=hd8ed1ab_0
- typing_extensions=4.8.0=pyha770c72_0
- tzdata=2023c=h71feb2d_0
- ucrt=10.0.22621.0=h57928b3_0
- unicodedata2=15.1.0=py310h8d17308_0
- vc=14.3=h64f974e_17
- vc14_runtime=14.36.32532=hdcecf7f_17
- vs2015_runtime=14.36.32532=h05e6639_17
- wcwidth=0.2.5=pyhd3eb1b0_0
- wheel=0.41.3=pyhd8ed1ab_0
- xz=5.4.2=h8cc25b3_0
- zeromq=4.3.4=hd77b12b_0
- zlib=1.2.13=hcfcfb64_5
- zstd=1.5.5=h12be248_0
- pip:
- annotated-types==0.6.0
- attrs==23.1.0
- charset-normalizer==3.3.2
- click==8.1.7
- comm==0.2.0
- cramjam==2.7.0
- diskcache==5.6.3
- dnspython==2.4.2
- fastparquet==2023.10.1
- filelock==3.13.1
- fsspec==2023.10.0
- huggingface-hub==0.19.4
- idna==3.4
- ipywidgets==8.1.1
- jinja2==3.1.2
- jupyterlab-widgets==3.0.9
- markupsafe==2.1.3
- mpmath==1.3.0
- networkx==3.2.1
- pyarrow==13.0.0
- pydantic==2.5.1
- pydantic-core==2.14.3
- pymongo==4.6.0
- pyyaml==6.0.1
- rdchiral==1.1.0
- regex==2023.10.3
- requests==2.31.0
- rxn-chem-utils==1.4.0
- rxn-utils==1.6.0
- rxnmapper==0.2.9
- safetensors==0.4.0
- scipy==1.11.4
- sympy==1.12
- tokenizers==0.15.0
- torch==2.0.1
- tqdm==4.66.1
- transformers==4.35.2
- urllib3==2.1.0
- widgetsnbextension==4.0.9