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environment.yml
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environment.yml
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name: ProteinDocking
channels:
- conda-forge
- defaults
dependencies:
- argon2-cffi=20.1.0
- async_generator=1.10
- attrs=20.3.0
- backcall=0.2.0
- biopandas=0.2.7
- biopython=1.78
- blas=1.0
- bleach=3.3.0
- boost=1.74.0
- boost-cpp=1.74.0
- brotlipy=0.7.0
- bzip2=1.0.8
- ca-certificates=2021.5.25
- cairo=1.16.0
- certifi=2021.5.30
- cffi=1.14.5
- chardet=4.0.0
- colorama=0.4.4
- console_shortcut=0.1.1
- cryptography=3.3.1
- cudatoolkit=11.1.1
- cycler=0.10.0
- decorator=4.4.2
- defusedxml=0.7.0
- entrypoints=0.3
- fftw=3.3.9
- freetype=2.10.4
- gettext=0.19.8.1
- greenlet=1.0.0
- icc_rt=2019.0.0
- icu=68.1
- idna=2.10
- importlib-metadata=2.0.0
- importlib_metadata=2.0.0
- intel-openmp=2020.2
- ipykernel=5.3.4
- ipython=7.21.0
- ipython_genutils=0.2.0
- jedi=0.17.0
- jinja2=2.11.3
- joblib=1.0.1
- jpeg=9d
- json5=0.9.5
- jsonschema=3.2.0
- jupyter_client=6.1.7
- jupyter_core=4.7.1
- jupyterlab=2.2.6
- jupyterlab_pygments=0.1.2
- jupyterlab_server=1.2.0
- khronos-opencl-icd-loader=2020.12.18
- kiwisolver=1.3.1
- lcms2=2.12
- libffi=3.3
- libglib=2.66.7
- libiconv=1.16
- libpng=1.6.37
- libsodium=1.0.18
- libtiff=4.2.0
- libxml2=2.9.10
- lz4-c=1.9.3
- m2w64-gcc-libgfortran=5.3.0
- m2w64-gcc-libs=5.3.0
- m2w64-gcc-libs-core=5.3.0
- m2w64-gmp=6.1.0
- m2w64-libwinpthread-git=5.0.0.4634.697f757
- markupsafe=1.1.1
- matplotlib-base=3.3.4
- mistune=0.8.4
- mkl=2020.2
- mkl-service=2.3.0
- mkl_fft=1.3.0
- mkl_random=1.1.1
- msys2-conda-epoch=20160418
- nbclient=0.5.3
- nbconvert=6.0.7
- nbformat=5.1.2
- nest-asyncio=1.5.1
- notebook=6.2.0
- numpy-base=1.19.2
- olefile=0.46
- openbabel=3.1.1
- openmm=7.5.0
- openssl=1.1.1k
- packaging=20.9
- pandas=1.2.3
- pandoc=2.11
- pandocfilters=1.4.3
- parso=0.8.1
- pcre=8.44
- pickleshare=0.7.5
- pillow=8.1.2
- pip=21.0.1
- pixman=0.40.0
- powershell_shortcut=0.0.1
- prometheus_client=0.9.0
- prompt-toolkit=3.0.8
- pycairo=1.20.0
- pycparser=2.20
- pygments=2.8.0
- pyopenssl=20.0.1
- pyparsing=2.4.7
- pyrsistent=0.17.3
- pysocks=1.7.1
- python=3.8.8
- python-dateutil=2.8.1
- python_abi=3.8
- pytz=2021.1
- pywin32=227
- pywinpty=0.5.7
- pyzmq=20.0.0
- rdkit=2020.09.5
- reportlab=3.5.65
- requests=2.25.1
- scikit-learn=0.24.2
- scipy=1.6.2
- send2trash=1.5.0
- setuptools=52.0.0
- six=1.15.0
- sqlalchemy=1.4.1
- sqlite=3.33.0
- terminado=0.9.2
- testpath=0.4.4
- threadpoolctl=2.1.0
- tk=8.6.10
- tornado=6.1
- traitlets=5.0.5
- urllib3=1.26.3
- vc=14.2
- vs2015_runtime=14.27.29016
- wcwidth=0.2.5
- webencodings=0.5.1
- wheel=0.36.2
- win_inet_pton=1.1.0
- wincertstore=0.2
- winpty=0.4.3
- xz=5.2.5
- zeromq=4.3.3
- zipp=3.4.0
- zlib=1.2.11
- zstd=1.4.9
- pip:
- altair==4.1.0
- astor==0.8.1
- base58==2.1.0
- blinker==1.4
- cachetools==4.2.2
- click==7.1.2
- gitdb==4.0.7
- gitpython==3.1.14
- ipywidgets==7.6.3
- jupyterlab-widgets==1.0.0
- lxml==4.6.2
- numpy==1.20.1
- pdb-tools==2.3.1
- plip==2.1.8
- protobuf==3.15.8
- pyarrow==4.0.0
- pydeck==0.6.2
- smmap==4.0.0
- streamlit==1.1.0
- toml==0.10.2
- toolz==0.11.1
- tzlocal==2.1
- validators==0.18.2
- watchdog==2.0.3
- widgetsnbextension==3.5.1
prefix: C:\Users\Micha\anaconda3\envs\ProteinDocking