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environment.yml
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environment.yml
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name: aipep
channels:
- rdkit
- pytorch
- tmap
- conda-forge
- defaults
dependencies:
- _libgcc_mutex=0.1
- _pytorch_select=0.2
- asn1crypto=1.3.0
- attrs=19.3.0
- backcall=0.1.0
- biopython=1.76
- blas=1.0
- bleach=3.1.4
- bzip2=1.0.8
- ca-certificates=2021.1.19
- cairo=1.14.12
- certifi=2020.12.5
- cffi=1.14.0
- chardet=3.0.4
- cryptography=2.8
- cudatoolkit=10.1.243
- cycler=0.10.0
- dbus=1.13.14
- decorator=4.4.2
- defusedxml=0.6.0
- entrypoints=0.3
- et_xmlfile=1.0.1
- expat=2.2.6
- flake8=3.8.4
- fontconfig=2.13.0
- freetype=2.9.1
- fribidi=1.0.5
- glib=2.63.1
- gmp=6.1.2
- graphite2=1.3.13
- graphviz=2.40.1
- gst-plugins-base=1.14.0
- gstreamer=1.14.0
- harfbuzz=1.8.8
- icu=58.2
- idna=2.9
- importlib-metadata=2.0.0
- importlib_metadata=1.5.0
- intel-openmp=2020.0
- ipykernel=5.1.4
- ipython=7.13.0
- ipython_genutils=0.2.0
- ipywidgets=7.5.1
- jdcal=1.4.1
- jedi=0.17.0
- jinja2=2.11.2
- joblib=0.14.1
- jpeg=9b
- json5=0.9.4
- jsonschema=3.2.0
- jupyter=1.0.0
- jupyter_client=6.1.3
- jupyter_console=6.1.0
- jupyter_core=4.6.3
- jupyterlab=2.1.2
- jupyterlab_server=1.1.1
- kiwisolver=1.2.0
- ld_impl_linux-64=2.33.1
- libboost=1.67.0
- libedit=3.1.20181209
- libffi=3.2.1
- libgcc-ng=9.1.0
- libgfortran-ng=7.3.0
- libpng=1.6.37
- libsodium=1.0.16
- libstdcxx-ng=9.1.0
- libtiff=4.1.0
- libuuid=1.0.3
- libxcb=1.13
- libxml2=2.9.9
- markupsafe=1.1.1
- matplotlib=3.1.3
- matplotlib-base=3.1.3
- mccabe=0.6.1
- mistune=0.8.4
- mkl=2020.0
- mkl-service=2.3.0
- mkl_fft=1.0.15
- mkl_random=1.1.0
- nbconvert=5.6.1
- nbformat=5.0.4
- ncurses=6.2
- networkx=2.5
- ninja=1.9.0
- nodejs=10.13.0
- notebook=6.0.3
- numpy=1.18.1
- numpy-base=1.18.1
- ogdf=1.0.1
- olefile=0.46
- openpyxl=3.0.6
- openssl=1.1.1i
- pandas=1.0.3
- pandoc=2.2.3.2
- pandocfilters=1.4.2
- pango=1.42.4
- parso=0.7.0
- pcre=8.43
- pexpect=4.8.0
- pickleshare=0.7.5
- pillow=7.1.2
- pip=20.0.2
- pixman=0.38.0
- prometheus_client=0.7.1
- prompt-toolkit=3.0.4
- prompt_toolkit=3.0.4
- ptyprocess=0.6.0
- py-boost=1.67.0
- pycodestyle=2.6.0
- pycparser=2.20
- pyflakes=2.2.0
- pygments=2.6.1
- pyopenssl=19.1.0
- pyparsing=2.4.7
- pyqt=5.9.2
- pyrsistent=0.16.0
- pysocks=1.7.1
- python=3.6.10
- python-dateutil=2.8.1
- python-graphviz=0.13.2
- python_abi=3.6
- pytorch=1.5.0
- pytz=2020.1
- pyzmq=18.1.1
- qt=5.9.7
- qtconsole=4.7.3
- qtpy=1.9.0
- rdkit=2020.03.1.0
- readline=8.0
- requests=2.23.0
- rope=0.18.0
- scikit-learn=0.22.1
- scipy=1.4.1
- seaborn=0.11.1
- send2trash=1.5.0
- setuptools=46.1.3
- sip=4.19.8
- six=1.14.0
- sqlite=3.31.1
- tabulate=0.8.3
- terminado=0.8.3
- testpath=0.4.4
- tk=8.6.8
- tmap=1.0.4
- torchvision=0.6.0
- tornado=6.0.4
- tqdm=4.46.0
- traitlets=4.3.3
- urllib3=1.25.8
- wcwidth=0.1.9
- webencodings=0.5.1
- wheel=0.34.2
- widgetsnbextension=3.5.1
- xlrd=1.2.0
- xlsxwriter=1.3.7
- xz=5.2.5
- zeromq=4.3.1
- zipp=3.1.0
- zlib=1.2.11
- zstd=1.3.7
- pip:
- cheroot==8.3.0
- cherrypy==18.5.0
- colour==0.1.5
- dill==0.3.1.1
- faerun==0.3.7
- importlib-resources==1.4.0
- jaraco-classes==3.1.0
- jaraco-collections==3.0.0
- jaraco-functools==3.0.0
- jaraco-text==3.2.0
- map4==1.0
- mhfp==1.9.2
- more-itertools==8.2.0
- pandarallel==1.4.8
- portend==2.6
- python-levenshtein==0.12.0
- tempora==3.0.0
- ujson==2.0.3
- zc-lockfile==2.0
prefix: /home/alice/miniconda3/envs/aipep