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environment.yml
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name: SARS-CoV-2-RBD_MAP
channels:
- bioconda
- r
- conda-forge
- defaults
- schrodinger
dependencies:
- _libgcc_mutex=0.1=conda_forge
- _openmp_mutex=4.5=1_gnu
- aioeasywebdav=2.4.0=py37_1000
- aiohttp=3.6.2=py37h516909a_0
- altair=4.1.0=py_1
- appdirs=1.4.3=py_1
- argon2-cffi=20.1.0=py37h8f50634_1
- astor=0.8.1=pyh9f0ad1d_0
- async-timeout=3.0.1=py_1000
- async_generator=1.10=py_0
- attrs=20.2.0=pyh9f0ad1d_0
- autograd=1.3=py_0
- autograd-gamma=0.5.0=pyh9f0ad1d_0
- backcall=0.2.0=pyh9f0ad1d_0
- backports=1.0=py_2
- backports.functools_lru_cache=1.6.1=py_0
- bcrypt=3.2.0=py37h8f50634_0
- bleach=3.2.1=pyh9f0ad1d_0
- boto3=1.15.0=pyh9f0ad1d_0
- botocore=1.18.0=pyh9f0ad1d_0
- brotlipy=0.7.0=py37h8f50634_1000
- bzip2=1.0.8=h516909a_3
- c-ares=1.11.0=h470a237_1
- ca-certificates=2020.12.5=ha878542_0
- cachetools=4.1.1=py_0
- cairo=1.16.0=h3fc0475_1005
- certifi=2020.12.5=py37h89c1867_1
- cffi=1.14.3=py37h2b28604_0
- chardet=3.0.4=py37hc8dfbb8_1007
- colorama=0.4.3=py_0
- configargparse=1.2.3=pyh9f0ad1d_0
- cryptography=3.1=py37hb09aad4_0
- curl=7.71.1=he644dc0_6
- cycler=0.10.0=py_2
- datrie=0.8.2=py37h8f50634_0
- dbus=1.13.6=he372182_0
- decorator=4.4.2=py_0
- defusedxml=0.6.0=py_0
- docutils=0.16=py37hc8dfbb8_1
- dropbox=10.4.1=pyh9f0ad1d_0
- entrypoints=0.3=py37hc8dfbb8_1001
- expat=2.2.9=he1b5a44_2
- fftw=3.3.8=nompi_h7f3a6c3_1111
- filechunkio=1.8=py_2
- fontconfig=2.13.1=h1056068_1002
- formulaic=0.2.3=pyhd8ed1ab_0
- freetype=2.10.2=he06d7ca_0
- ftputil=4.0.0=py_0
- future=0.18.2=py37h89c1867_3
- gettext=0.19.8.1=hc5be6a0_1002
- ghostscript=9.18=1
- giflib=5.1.9=h516909a_0
- git-lfs=2.11.0=0
- gitdb=4.0.5=py_0
- gitpython=3.1.8=py_0
- glib=2.66.0=h0dae87d_0
- google-api-core=1.22.2=py37hc8dfbb8_0
- google-api-python-client=1.12.1=pyh9f0ad1d_0
- google-auth=1.21.2=py_0
- google-auth-httplib2=0.0.3=py_3
- google-cloud-core=1.3.0=py_0
- google-cloud-storage=1.30.0=pyh9f0ad1d_0
- google-crc32c=1.0.0=py37h193935f_0
- google-resumable-media=1.0.0=pyh9f0ad1d_0
- googleapis-common-protos=1.51.0=py37hc8dfbb8_2
- graphite2=1.3.13=he1b5a44_1001
- graphviz=2.38.0=hf68f40c_1011
- gst-plugins-base=1.14.5=h0935bb2_2
- gstreamer=1.14.5=h36ae1b5_2
- harfbuzz=2.7.2=hee91db6_0
- hdf5=1.10.5=nompi_h3c11f04_1104
- httplib2=0.18.1=pyh9f0ad1d_0
- icu=67.1=he1b5a44_0
- idna=2.10=pyh9f0ad1d_0
- imagemagick=7.0.8_11=pl526hc610aec_0
- importlib-metadata=1.7.0=py37hc8dfbb8_0
- importlib_metadata=1.7.0=0
- interface_meta=1.2.3=pyhd8ed1ab_0
- ipykernel=5.3.4=py37h43977f1_0
- ipython=7.18.1=py37hc6149b9_0
- ipython_genutils=0.2.0=py_1
- ipywidgets=7.5.1=pyh9f0ad1d_1
- jbig=2.1=h516909a_2002
- jedi=0.17.2=py37hc8dfbb8_0
- jinja2=2.11.2=pyh9f0ad1d_0
- jmespath=0.10.0=pyh9f0ad1d_0
- joblib=0.16.0=py_0
- jpeg=9d=h516909a_0
- json5=0.9.4=pyh9f0ad1d_0
- jsonschema=3.2.0=py37hc8dfbb8_1
- jupyter=1.0.0=py_2
- jupyter_client=6.1.7=py_0
- jupyter_console=6.2.0=py_0
- jupyter_contrib_core=0.3.3=py_2
- jupyter_contrib_nbextensions=0.5.1=py37_0
- jupyter_core=4.6.3=py37hc8dfbb8_1
- jupyter_highlight_selected_word=0.2.0=py37_1000
- jupyter_latex_envs=1.4.6=py37_1000
- jupyter_nbextensions_configurator=0.4.1=py37hc8dfbb8_1
- jupyterlab=2.2.8=py_0
- jupyterlab_pygments=0.1.1=pyh9f0ad1d_0
- jupyterlab_server=1.2.0=py_0
- jupytext=1.6.0=pyh9f0ad1d_0
- krb5=1.17.1=hfafb76e_3
- ld_impl_linux-64=2.35=h769bd43_9
- libblas=3.8.0=17_openblas
- libcblas=3.8.0=17_openblas
- libclang=10.0.1=default_hde54327_1
- libcrc32c=1.1.1=he1b5a44_2
- libcurl=7.71.1=hcdd3856_6
- libedit=3.1.20191231=he28a2e2_2
- libev=4.33=h516909a_1
- libevent=2.1.10=hcdb4288_2
- libffi=3.2.1=he1b5a44_1007
- libgcc=7.2.0=h69d50b8_2
- libgcc-ng=9.3.0=h24d8f2e_16
- libgfortran-ng=7.5.0=hdf63c60_16
- libgomp=9.3.0=h24d8f2e_16
- libiconv=1.16=h516909a_0
- liblapack=3.8.0=17_openblas
- libllvm10=10.0.1=he513fc3_3
- libnghttp2=1.41.0=hab1572f_1
- libopenblas=0.3.10=pthreads_hb3c22a3_4
- libpng=1.6.37=hed695b0_2
- libpq=12.3=h5513abc_0
- libprotobuf=3.13.0=h8b12597_0
- libsodium=1.0.18=h516909a_0
- libssh2=1.9.0=hab1572f_5
- libstdcxx-ng=9.3.0=hdf63c60_16
- libtiff=4.1.0=hc3755c2_3
- libtool=2.4.6=h516909a_1005
- libuuid=2.32.1=h14c3975_1000
- libuv=1.39.0=h516909a_0
- libwebp=0.5.2=7
- libxcb=1.13=h14c3975_1002
- libxkbcommon=0.10.0=he1b5a44_0
- libxml2=2.9.10=h68273f3_2
- libxslt=1.1.33=h572872d_1
- lifelines=0.25.10=pyhd8ed1ab_0
- lxml=4.5.2=py37he3881c9_0
- lz4-c=1.9.2=he1b5a44_3
- mafft=7.471=h516909a_0
- markdown-it-py=0.5.5=py_0
- markupsafe=1.1.1=py37h8f50634_1
- matplotlib-base=3.2.2=py37h1d35a4c_1
- mistune=0.8.4=py37h8f50634_1001
- multidict=4.7.5=py37h8f50634_1
- mysql-common=8.0.21=2
- mysql-libs=8.0.21=hf3661c5_2
- nbclient=0.5.0=py_0
- nbconvert=6.0.3=py37hc8dfbb8_0
- nbdime=2.0.0=py_1
- nbformat=5.0.7=py_0
- ncbi-ngs-sdk=2.10.4=h3e72335_1
- ncurses=6.2=he1b5a44_1
- nest-asyncio=1.4.0=py_0
- networkx=2.5=py_0
- nodejs=14.11.0=h568c755_0
- notebook=6.1.4=py37hc8dfbb8_0
- nspr=4.28=he1b5a44_0
- nss=3.56=he751ad9_0
- numpy=1.19.1=py37h7ea13bd_2
- oauth2client=4.1.3=py_0
- openjpeg=2.3.1=h981e76c_3
- openssl=1.1.1j=h7f98852_0
- ossuuid=1.6.2=hf484d3e_1000
- packaging=20.4=pyh9f0ad1d_0
- pandas=1.1.2=py37h3340039_0
- pandoc=2.10.1=h516909a_0
- pandocfilters=1.4.2=py_1
- pango=1.40.14=he7ab937_1005
- paramiko=2.7.2=pyh9f0ad1d_0
- parso=0.7.1=pyh9f0ad1d_0
- pcre=8.44=he1b5a44_0
- perl=5.26.2=h516909a_1006
- perl-app-cpanminus=1.7044=pl526_1
- perl-business-isbn=3.004=pl526_0
- perl-business-isbn-data=20140910.003=pl526_0
- perl-carp=1.38=pl526_3
- perl-constant=1.33=pl526_1
- perl-data-dumper=2.173=pl526_0
- perl-encode=2.88=pl526_1
- perl-exporter=5.72=pl526_1
- perl-extutils-makemaker=7.36=pl526_1
- perl-file-path=2.16=pl526_0
- perl-file-temp=0.2304=pl526_2
- perl-mime-base64=3.15=pl526_1
- perl-parent=0.236=pl526_1
- perl-uri=1.76=pl526_0
- perl-xml-libxml=2.0132=pl526h7ec2d77_1
- perl-xml-namespacesupport=1.12=pl526_0
- perl-xml-sax=1.02=pl526_0
- perl-xml-sax-base=1.09=pl526_0
- perl-xsloader=0.24=pl526_0
- pexpect=4.8.0=py37hc8dfbb8_1
- pickleshare=0.7.5=py37hc8dfbb8_1001
- pip=20.2.3=py_0
- pixman=0.38.0=h516909a_1003
- pkg-config=0.29.2=h516909a_1006
- prettytable=0.7.2=py_3
- prometheus_client=0.8.0=pyh9f0ad1d_0
- prompt-toolkit=3.0.7=py_0
- prompt_toolkit=3.0.7=0
- protobuf=3.13.0=py37h3340039_0
- psutil=5.7.2=py37h8f50634_0
- pthread-stubs=0.4=h14c3975_1001
- ptyprocess=0.6.0=py_1001
- pulp=1.6.8=py37_1000
- pyasn1=0.4.8=py_0
- pyasn1-modules=0.2.7=py_0
- pycparser=2.20=pyh9f0ad1d_2
- pygments=2.7.1=py_0
- pygraphviz=1.5=py37h8f50634_1002
- pynacl=1.3.0=py37h516909a_1001
- pyopenssl=19.1.0=py_1
- pyparsing=2.4.7=pyh9f0ad1d_0
- pyqt=5.12.3=py37h8685d9f_3
- pyrsistent=0.17.3=py37h8f50634_0
- pysftp=0.2.9=py_1
- pysocks=1.7.1=py37hc8dfbb8_1
- python=3.7.8=h6f2ec95_1_cpython
- python-dateutil=2.8.1=py_0
- python-irodsclient=0.8.2=py_0
- python_abi=3.7=1_cp37m
- pytz=2020.1=pyh9f0ad1d_0
- pyyaml=5.3.1=py37h8f50634_0
- pyzmq=19.0.2=py37hac76be4_0
- qt=5.12.9=h1f2b2cb_0
- qtconsole=4.7.7=pyh9f0ad1d_0
- qtpy=1.9.0=py_0
- ratelimiter=1.2.0=py37hc8dfbb8_1001
- readline=8.0=he28a2e2_2
- requests=2.24.0=pyh9f0ad1d_0
- rsa=4.6=pyh9f0ad1d_0
- s3transfer=0.3.3=py37hc8dfbb8_1
- scikit-learn=0.23.2=py37h6785257_0
- scipy=1.5.2=py37hb14ef9d_0
- send2trash=1.5.0=py_0
- setuptools=49.6.0=py37hc8dfbb8_1
- simplejson=3.17.2=py37h8f50634_0
- six=1.15.0=pyh9f0ad1d_0
- slacker=0.14.0=py_0
- smmap=3.0.4=pyh9f0ad1d_0
- snakemake=5.24.2=0
- snakemake-minimal=5.24.2=py_0
- sqlite=3.33.0=h4cf870e_0
- sra-tools=2.10.8=pl526haddd2b5_0
- terminado=0.8.3=py37hc8dfbb8_1
- testpath=0.4.4=py_0
- threadpoolctl=2.1.0=pyh5ca1d4c_0
- tk=8.6.10=hed695b0_0
- toml=0.10.1=pyh9f0ad1d_0
- toolz=0.10.0=py_0
- toposort=1.5=py_3
- tornado=6.0.4=py37h8f50634_1
- traitlets=5.0.4=py_0
- uritemplate=3.0.1=py_0
- urllib3=1.25.10=py_0
- wcwidth=0.2.5=pyh9f0ad1d_1
- webencodings=0.5.1=py_1
- wheel=0.35.1=pyh9f0ad1d_0
- widgetsnbextension=3.5.1=py37hc8dfbb8_1
- wrapt=1.12.1=py37h8f50634_1
- xmlrunner=1.7.7=py_0
- xorg-kbproto=1.0.7=h14c3975_1002
- xorg-libice=1.0.10=h516909a_0
- xorg-libsm=1.2.3=h84519dc_1000
- xorg-libx11=1.6.12=h516909a_0
- xorg-libxau=1.0.9=h14c3975_0
- xorg-libxdmcp=1.1.3=h516909a_0
- xorg-libxext=1.3.4=h516909a_0
- xorg-libxpm=3.5.13=h516909a_0
- xorg-libxrender=0.9.10=h516909a_1002
- xorg-libxt=1.1.5=h516909a_1003
- xorg-renderproto=0.11.1=h14c3975_1002
- xorg-xextproto=7.3.0=h14c3975_1002
- xorg-xproto=7.0.31=h14c3975_1007
- xz=5.2.5=h516909a_1
- yaml=0.2.5=h516909a_0
- yarl=1.3.0=py37h516909a_1000
- zeromq=4.3.2=he1b5a44_3
- zipp=3.1.0=py_0
- zlib=1.2.11=h516909a_1009
- zstd=1.4.5=h6597ccf_2
- pip:
- adjusttext==0.7.3
- biopython==1.78
- descartes==1.1.0
- dms-variants==0.8.5
- dmslogo==0.6.2
- kiwisolver==1.2.0
- logomaker==0.8
- matplotlib==3.3.2
- mizani==0.7.1
- natsort==7.0.1
- neutcurve==0.5.2
- palettable==3.3.0
- patsy==0.5.1
- pdb-prot-align==0.5.0
- pillow==7.2.0
- plotnine==0.7.1
- pyqt5-sip==4.19.18
- pyqtchart==5.12
- pyqtwebengine==5.12.1
- regex==2020.7.14
- seaborn==0.11.0
- statsmodels==0.12.0
- svgutils==0.3.1
- xlrd==1.2.0
prefix: /fh/fast/bloom_j/software/miniconda3/envs/SARS-CoV-2-RBD_MAP