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environment.yml
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environment.yml
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name: PROTAC-RL
channels:
- rdkit
- conda-forge
- defaults
- https://mirrors.bfsu.edu.cn/anaconda/cloud/conda-forge/
- https://mirrors.bfsu.edu.cn/anaconda/pkgs/main
- https://mirrors.bfsu.edu.cn/anaconda/pkgs/r
- https://mirrors.bfsu.edu.cn/anaconda/pkgs/msys2
- https://mirrors.bfsu.edu.cn/anaconda/cloud/pytorch/
- https://mirrors.bfsu.edu.cn/anaconda/cloud/rdkit/
dependencies:
- _anaconda_depends=2019.03=py36_0
- _libgcc_mutex=0.1=main
- alabaster=0.7.12=py36_0
- anaconda=custom=py36_1
- anaconda-client=1.6.14=py36_0
- anaconda-navigator=1.8.7=py36_0
- anaconda-project=0.8.2=py36h44fb852_0
- asn1crypto=1.4.0=py_0
- astroid=2.5=py36h06a4308_1
- astropy=3.2.3=py36h7b6447c_0
- atomicwrites=1.4.0=py_0
- attrs=20.3.0=pyhd3eb1b0_0
- babel=2.5.3=py36_0
- backcall=0.2.0=pyhd3eb1b0_0
- backports=1.0=pyhd3eb1b0_2
- backports.os=0.1.1=py36h06a4308_1000
- backports.shutil_get_terminal_size=1.0.0=pyhd3eb1b0_3
- beautifulsoup4=4.9.3=pyha847dfd_0
- bitarray=1.7.1=py36h27cfd23_1
- bkcharts=0.2=py36_0
- blas=1.0=mkl
- bleach=3.3.0=pyhd3eb1b0_0
- blosc=1.21.0=h8c45485_0
- bokeh=2.1.1=py36_0
- boto=2.49.0=py36_0
- bottleneck=1.3.1=py36hdd07704_0
- brotlipy=0.7.0=py36h27cfd23_1003
- bzip2=1.0.8=h7b6447c_0
- ca-certificates=2020.12.5=ha878542_0
- cairo=1.14.12=h8948797_3
- certifi=2020.12.5=py36h5fab9bb_1
- cffi=1.14.0=py36h2e261b9_0
- chardet=4.0.0=py36h06a4308_1003
- click=7.1.2=pyhd3eb1b0_0
- cloudpickle=1.6.0=py_0
- clyent=1.2.2=py36_1
- colorama=0.4.4=pyhd3eb1b0_0
- conda=4.8.3=py36_0
- conda-build=3.10.5=py36_0
- conda-env=2.6.0=h36134e3_1
- conda-package-handling=1.6.0=py36h7b6447c_0
- conda-verify=2.0.0=py36h98955d8_0
- contextlib2=0.6.0.post1=py_0
- cryptography=3.4.6=py36hd23ed53_0
- cudatoolkit=10.1.243=h6bb024c_0
- curl=7.69.1=hbc83047_0
- cycler=0.10.0=py36_0
- cython=0.28.2=py36h14c3975_0
- cytoolz=0.9.0.1=py36h14c3975_0
- dask=0.17.5=py36_0
- dask-core=0.17.5=py36_0
- dbus=1.13.2=h714fa37_1
- decorator=4.4.2=pyhd3eb1b0_0
- defusedxml=0.7.1=pyhd3eb1b0_0
- distributed=1.21.8=py36_0
- docopt=0.6.2=py36_0
- docutils=0.14=py36hb0f60f5_0
- entrypoints=0.3=py36_0
- et_xmlfile=1.0.1=py_1001
- expat=2.2.10=he6710b0_2
- fastcache=1.1.0=py36h7b6447c_0
- filelock=3.0.12=pyhd3eb1b0_1
- flask=1.1.2=pyhd3eb1b0_0
- fontconfig=2.13.0=h9420a91_0
- freetype=2.9.1=h8a8886c_1
- fribidi=1.0.10=h7b6447c_0
- get_terminal_size=1.0.0=haa9412d_0
- gevent=21.1.1=py36h27cfd23_1
- glib=2.63.1=h5a9c865_0
- glob2=0.7=pyhd3eb1b0_0
- gmp=6.2.1=h2531618_2
- gmpy2=2.0.8=py36h10f8cd9_2
- graphite2=1.3.14=h23475e2_0
- greenlet=1.0.0=py36h2531618_2
- gst-plugins-base=1.14.0=hbbd80ab_1
- gstreamer=1.14.0=hb453b48_1
- h5py=2.8.0=py36h989c5e5_3
- harfbuzz=1.8.8=hffaf4a1_0
- hdf5=1.10.2=hba1933b_1
- heapdict=1.0.1=py_0
- html5lib=1.1=py_0
- icu=58.2=he6710b0_3
- idna=2.10=pyhd3eb1b0_0
- imageio=2.9.0=py_0
- imagesize=1.0.0=py36_0
- importlib_metadata=1.5.0=py36_0
- intel-openmp=2018.0.0=8
- ipykernel=4.8.2=py36_0
- ipython=6.4.0=py36_0
- ipython_genutils=0.2.0=py36hb52b0d5_0
- ipywidgets=7.6.3=pyhd3eb1b0_1
- isort=5.7.0=pyhd3eb1b0_0
- itsdangerous=1.1.0=py36_0
- jbig=2.1=hdba287a_0
- jdcal=1.4.1=py_0
- jedi=0.17.0=py36_0
- jeepney=0.6.0=pyhd3eb1b0_0
- jinja2=2.11.3=pyhd3eb1b0_0
- jpeg=9b=h024ee3a_2
- json5=0.9.5=py_0
- jsonschema=3.2.0=py_2
- jupyter=1.0.0=py36_4
- jupyter_client=5.2.3=py36_0
- jupyter_console=5.2.0=py36he59e554_1
- jupyter_core=4.4.0=py36h7c827e3_0
- jupyterlab=0.32.1=py36_0
- jupyterlab_launcher=0.10.5=py36_0
- jupyterlab_server=1.2.0=py_0
- jupyterlab_widgets=1.0.0=pyhd3eb1b0_1
- keyring=22.3.0=py36h06a4308_0
- kiwisolver=1.3.1=py36h2531618_0
- krb5=1.17.1=h173b8e3_0
- lazy-object-proxy=1.5.2=py36h27cfd23_0
- ld_impl_linux-64=2.33.1=h53a641e_7
- libboost=1.67.0=h46d08c1_4
- libcurl=7.69.1=h20c2e04_0
- libedit=3.1.20181209=hc058e9b_0
- libffi=3.2.1=hd88cf55_4
- libgcc-ng=9.1.0=hdf63c60_0
- libgfortran-ng=7.2.0=hdf63c60_3
- libpng=1.6.37=hbc83047_0
- libsodium=1.0.18=h7b6447c_0
- libssh2=1.9.0=h1ba5d50_1
- libstdcxx-ng=9.1.0=hdf63c60_0
- libtiff=4.2.0=h3942068_0
- libtool=2.4.6=h544aabb_3
- libuuid=1.0.3=h1bed415_2
- libwebp-base=1.2.0=h27cfd23_0
- libxcb=1.14=h7b6447c_0
- libxml2=2.9.10=hb55368b_3
- libxslt=1.1.34=hc22bd24_0
- llvmlite=0.31.0=py36hd408876_0
- locket=0.2.1=py36h06a4308_1
- lxml=4.6.2=py36h9120a33_0
- lz4-c=1.9.3=h2531618_0
- lzo=2.10=h7b6447c_2
- markupsafe=1.1.1=py36h7b6447c_0
- matplotlib=3.1.1=py36h5429711_0
- mccabe=0.6.1=py36_1
- mistune=0.8.4=py36h7b6447c_0
- mkl=2018.0.2=1
- mkl-service=1.1.2=py36h17a0993_4
- mkl_fft=1.0.1=py36h3010b51_0
- mkl_random=1.0.1=py36h629b387_0
- more-itertools=4.1.0=py36_0
- mpc=1.1.0=h10f8cd9_1
- mpfr=4.0.2=hb69a4c5_1
- mpmath=1.1.0=py36_0
- msgpack-python=1.0.2=py36hff7bd54_1
- multipledispatch=0.5.0=py36_0
- nbconvert=5.6.1=py36_0
- nbformat=5.1.2=pyhd3eb1b0_1
- ncurses=6.2=he6710b0_1
- networkx=2.5=py_0
- nltk=3.5=py_0
- nose=1.3.7=pyhd3eb1b0_1006
- notebook=5.5.0=py36_0
- numba=0.47.0=py36h962f231_0
- numexpr=2.6.5=py36h7bf3b9c_0
- numpy=1.14.3=py36hcd700cb_1
- numpy-base=1.14.3=py36h9be14a7_1
- numpydoc=0.8.0=py36_0
- olefile=0.46=py36_0
- openpyxl=3.0.7=pyhd3eb1b0_0
- openssl=1.1.1k=h27cfd23_0
- packaging=17.1=py36_0
- pandas=0.25.3=py36he6710b0_0
- pandoc=2.12=h06a4308_0
- pandocfilters=1.4.3=py36h06a4308_1
- pango=1.42.4=h049681c_0
- parso=0.8.1=pyhd3eb1b0_0
- partd=1.1.0=py_0
- patchelf=0.12=h2531618_1
- path.py=11.0.1=py36_0
- pathlib2=2.3.2=py36_0
- patsy=0.5.1=py36_0
- pcre=8.44=he6710b0_0
- pep8=1.7.1=py36_0
- pexpect=4.8.0=pyhd3eb1b0_3
- pickleshare=0.7.4=py36h63277f8_0
- pillow=6.2.1=py36h34e0f95_0
- pip=21.0.1=pyhd8ed1ab_0
- pixman=0.38.0=h7b6447c_0
- pkginfo=1.4.2=py36_1
- pluggy=0.6.0=py36hb689045_0
- ply=3.11=py36_0
- prometheus_client=0.7.1=py_0
- prompt_toolkit=1.0.15=py36h17d85b1_0
- psutil=5.4.5=py36h14c3975_0
- ptyprocess=0.5.2=py36h69acd42_0
- py=1.5.3=py36_0
- py-boost=1.67.0=py36h04863e7_4
- pycodestyle=2.7.0=pyhd3eb1b0_0
- pycosat=0.6.3=py36h27cfd23_0
- pycparser=2.20=py_2
- pycrypto=2.6.1=py36h7b6447c_10
- pycurl=7.43.0.5=py36h1ba5d50_0
- pyflakes=2.3.0=pyhd3eb1b0_0
- pygments=2.8.1=pyhd3eb1b0_0
- pylint=2.7.2=py36h06a4308_1
- pyodbc=4.0.30=py36he6710b0_0
- pyopenssl=20.0.1=pyhd3eb1b0_1
- pyparsing=2.2.0=py36hee85983_1
- pyqt=5.9.2=py36h751905a_0
- pyrsistent=0.16.0=py36h7b6447c_0
- pysocks=1.6.8=py36_0
- pytables=3.4.3=py36h02b9ad4_2
- pytest=3.5.1=py36_0
- pytest-arraydiff=0.3=py36h39e3cac_0
- pytest-astropy=0.4.0=py36_0
- pytest-doctestplus=0.5.0=py_0
- pytest-openfiles=0.3.0=py36_0
- pytest-remotedata=0.3.2=py36_0
- python=3.6.10=h191fe78_1
- python-dateutil=2.8.1=py_0
- python_abi=3.6=1_cp36m
- pytz=2019.3=py_0
- pywavelets=1.0.3=py36hdd07704_1
- pyyaml=5.4.1=py36h27cfd23_1
- pyzmq=20.0.0=py36h2531618_1
- qt=5.9.7=h5867ecd_1
- qtawesome=1.0.2=pyhd3eb1b0_0
- qtconsole=5.0.2=pyhd3eb1b0_0
- qtpy=1.9.0=py_0
- rdkit=2019.09.2.0=py36hc20afe1_1
- readline=7.0=ha6073c6_4
- regex=2021.3.17=py36h27cfd23_0
- requests=2.25.1=pyhd3eb1b0_0
- rope=0.18.0=py_0
- ruamel_yaml=0.15.100=py36h27cfd23_0
- scikit-image=0.15.0=py36he6710b0_0
- scipy=1.1.0=py36hfc37229_0
- seaborn=0.8.1=py36hfad7ec4_0
- secretstorage=3.3.1=py36h06a4308_0
- send2trash=1.5.0=pyhd3eb1b0_1
- setuptools=52.0.0=py36h06a4308_0
- simplegeneric=0.8.1=py36_2
- singledispatch=3.6.1=pyhd3eb1b0_1001
- sip=4.19.8=py36hf484d3e_0
- six=1.13.0=py36_0
- snappy=1.1.8=he6710b0_0
- snowballstemmer=2.1.0=pyhd3eb1b0_0
- sortedcollections=2.1.0=pyhd3eb1b0_0
- sortedcontainers=2.3.0=pyhd3eb1b0_0
- soupsieve=2.2=pyhd3eb1b0_0
- sphinx=3.5.2=pyhd3eb1b0_0
- sphinxcontrib=1.0=py36_1
- sphinxcontrib-applehelp=1.0.2=pyhd3eb1b0_0
- sphinxcontrib-devhelp=1.0.2=pyhd3eb1b0_0
- sphinxcontrib-htmlhelp=1.0.3=pyhd3eb1b0_0
- sphinxcontrib-jsmath=1.0.1=pyhd3eb1b0_0
- sphinxcontrib-qthelp=1.0.3=pyhd3eb1b0_0
- sphinxcontrib-serializinghtml=1.1.4=pyhd3eb1b0_0
- sphinxcontrib-websupport=1.2.4=py_0
- spyder=3.3.2=py36_0
- spyder-kernels=0.2.6=py36_0
- sqlalchemy=1.3.23=py36h27cfd23_0
- sqlite=3.31.1=h7b6447c_0
- statsmodels=0.10.1=py36hdd07704_0
- sympy=1.7.1=py36h06a4308_0
- tbb=2020.3=hfd86e86_0
- tbb4py=2020.3=py36hfd86e86_0
- tblib=1.7.0=py_0
- terminado=0.9.3=py36h06a4308_0
- testpath=0.4.4=pyhd3eb1b0_0
- tk=8.6.10=hbc83047_0
- toml=0.10.2=pyhd3eb1b0_0
- toolz=0.11.1=pyhd3eb1b0_0
- tornado=5.1.1=py36h7b6447c_0
- traitlets=4.3.3=py36_0
- typed-ast=1.4.2=py36h27cfd23_1
- typing_extensions=3.7.4.3=pyha847dfd_0
- unicodecsv=0.14.1=py36_0
- unixodbc=2.3.7=h14c3975_0
- urllib3=1.26.4=pyhd3eb1b0_0
- wcwidth=0.2.5=py_0
- webencodings=0.5.1=py36_1
- werkzeug=1.0.1=pyhd3eb1b0_0
- wheel=0.36.2=pyhd3eb1b0_0
- widgetsnbextension=3.5.1=py36_0
- wrapt=1.12.1=py36h7b6447c_1
- wurlitzer=2.0.1=py36_0
- xlrd=2.0.1=pyhd3eb1b0_0
- xlsxwriter=1.3.7=pyhd3eb1b0_0
- xlwt=1.3.0=py36_0
- xz=5.2.5=h7b6447c_0
- yaml=0.2.5=h7b6447c_0
- zeromq=4.3.4=h2531618_0
- zict=2.0.0=pyhd3eb1b0_0
- zipp=3.4.1=pyhd3eb1b0_0
- zlib=1.2.11=h7b6447c_3
- zope=1.0=py36_1
- zope.event=4.5.0=py36_0
- zope.interface=5.2.0=py36h27cfd23_0
- zstd=1.4.5=h9ceee32_0
- pip:
- dataclasses==0.8
- joblib==0.14.1
- scikit-learn==0.24.2
- threadpoolctl==2.1.0
- torch==1.8.0+cu111
- torchtext==0.4.0
- tqdm==4.30.0
- xgboost==1.4.2
prefix: /home/tanyh/anaconda3/envs/PROTAC-RL