/
environment.yml
334 lines (334 loc) · 9.14 KB
/
environment.yml
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name: snca
channels:
- tubiana
- anaconda
- salilab
- bioconda
- defaults
- r
- conda-forge
dependencies:
- _libgcc_mutex=0.1=conda_forge
- _openmp_mutex=4.5=1_llvm
- argcomplete=1.12.3=pyhd3eb1b0_0
- argon2-cffi=20.1.0=py38h27cfd23_1
- astunparse=1.6.3=py_0
- async_generator=1.10=pyhd3eb1b0_0
- attrs=21.4.0=pyhd3eb1b0_0
- backcall=0.2.0=pyhd3eb1b0_0
- biopython=1.78=py38h7f8727e_0
- blas=1.0=mkl
- bleach=4.1.0=pyhd3eb1b0_0
- blosc=1.21.0=h8c45485_0
- bottleneck=1.3.2=py38heb32a55_1
- brotli=1.0.9=he6710b0_2
- bzip2=1.0.8=h7b6447c_0
- c-ares=1.18.1=h7f8727e_0
- ca-certificates=2021.10.26=h06a4308_2
- certifi=2021.10.8=py38h06a4308_2
- cffi=1.15.0=py38hd667e15_1
- cftime=1.5.1.1=py38hce1f21e_0
- curl=7.80.0=h7f8727e_0
- cycler=0.11.0=pyhd3eb1b0_0
- cython=0.29.25=py38hdbfa776_0
- dbus=1.13.18=hb2f20db_0
- debugpy=1.5.1=py38h295c915_0
- decorator=5.1.1=pyhd3eb1b0_0
- defusedxml=0.7.1=pyhd3eb1b0_0
- dssp=3.0.0=hf484d3e_3
- entrypoints=0.3=py38_0
- expat=2.4.4=h295c915_0
- fftw=3.3.9=h27cfd23_1
- fontconfig=2.13.1=h6c09931_0
- fonttools=4.25.0=pyhd3eb1b0_0
- freetype=2.11.0=h70c0345_0
- giflib=5.2.1=h7b6447c_0
- glib=2.69.1=h4ff587b_1
- griddataformats=0.6.0=pyhd8ed1ab_0
- gromacs=2021.3=nompi_hcc3dda7_0
- gromacswrapper=0.8.2=pyh5e36f6f_0
- gsd=2.5.1=py38h6c62de6_0
- gst-plugins-base=1.14.0=h8213a91_2
- gstreamer=1.14.0=h28cd5cc_2
- hdf4=4.2.13=h3ca952b_2
- hdf5=1.10.6=nompi_h7c3c948_1111
- icu=58.2=he6710b0_3
- importlib-metadata=4.8.2=py38h06a4308_0
- importlib_metadata=4.8.2=hd3eb1b0_0
- iniconfig=1.1.1=pyhd3eb1b0_0
- intel-openmp=2021.4.0=h06a4308_3561
- ipykernel=6.4.1=py38h06a4308_1
- ipython=7.31.1=py38h06a4308_0
- ipython_genutils=0.2.0=pyhd3eb1b0_1
- ipywidgets=7.6.5=pyhd3eb1b0_1
- jedi=0.18.1=py38h06a4308_1
- jinja2=3.0.2=pyhd3eb1b0_0
- joblib=1.1.0=pyhd3eb1b0_0
- jpeg=9d=h7f8727e_0
- jsonschema=3.2.0=pyhd3eb1b0_2
- jupyter=1.0.0=py38_7
- jupyter_client=7.1.2=pyhd3eb1b0_0
- jupyter_console=6.4.0=pyhd3eb1b0_0
- jupyter_core=4.9.1=py38h06a4308_0
- jupyterlab_pygments=0.1.2=py_0
- jupyterlab_widgets=1.0.0=pyhd3eb1b0_1
- kiwisolver=1.3.1=py38h2531618_0
- krb5=1.19.2=hac12032_0
- lcms2=2.12=h3be6417_0
- ld_impl_linux-64=2.35.1=h7274673_9
- libboost=1.67.0=h46d08c1_4
- libcurl=7.80.0=h0b77cf5_0
- libedit=3.1.20210910=h7f8727e_0
- libev=4.33=h7f8727e_1
- libffi=3.3=he6710b0_2
- libgcc-ng=11.2.0=h1d223b6_12
- libgfortran-ng=7.5.0=ha8ba4b0_17
- libgfortran4=7.5.0=ha8ba4b0_17
- libhwloc=2.5.0=h6746aa3_0
- libllvm11=11.1.0=h3826bc1_0
- libnetcdf=4.8.0=nompi_hf7493bd_100
- libnghttp2=1.46.0=hce63b2e_0
- libpng=1.6.37=hbc83047_0
- libsodium=1.0.18=h7b6447c_0
- libssh2=1.9.0=h1ba5d50_1
- libstdcxx-ng=11.2.0=he4da1e4_12
- libtiff=4.2.0=h85742a9_0
- libuuid=1.0.3=h7f8727e_2
- libwebp=1.2.0=h89dd481_0
- libwebp-base=1.2.0=h27cfd23_0
- libxcb=1.14=h7b6447c_0
- libxml2=2.9.12=h03d6c58_0
- libzip=1.5.1=h8d318fa_1002
- libzlib=1.2.11=h36c2ea0_1013
- llvm-openmp=13.0.1=hf817b99_0
- llvmlite=0.37.0=py38h295c915_1
- lz4-c=1.9.3=h295c915_1
- lzo=2.10=h7b6447c_2
- markupsafe=2.0.1=py38h27cfd23_0
- matplotlib-inline=0.1.2=pyhd3eb1b0_2
- mdanalysis=2.0.0=py38h709712a_1
- mdtraj=1.9.7=py38h0f83e44_1
- mistune=0.8.4=py38h7b6447c_1000
- mkl=2021.4.0=h06a4308_640
- mkl-service=2.4.0=py38h7f8727e_0
- mkl_fft=1.3.1=py38hd3c417c_0
- mkl_random=1.2.2=py38h51133e4_0
- mmtf-python=1.1.2=py_0
- mock=4.0.3=pyhd3eb1b0_0
- msgpack-python=1.0.2=py38hff7bd54_1
- munkres=1.0.7=py_1
- nbclient=0.5.3=pyhd3eb1b0_0
- nbconvert=6.3.0=py38h06a4308_0
- nbformat=5.1.3=pyhd3eb1b0_0
- ncurses=6.3=h7f8727e_2
- nest-asyncio=1.5.1=pyhd3eb1b0_0
- netcdf4=1.5.7=nompi_py38h5e9db54_100
- networkx=2.6.3=pyhd3eb1b0_0
- notebook=6.4.6=py38h06a4308_0
- numba=0.54.1=py38h51133e4_0
- numexpr=2.8.1=py38h6abb31d_0
- numkit=1.2.2=pyh5e36f6f_1
- numpy=1.20.3=py38hf144106_0
- numpy-base=1.20.3=py38h74d4b33_0
- ocl-icd=2.3.1=h7f98852_0
- olefile=0.46=pyhd3eb1b0_0
- openssl=1.1.1m=h7f8727e_0
- packaging=21.3=pyhd3eb1b0_0
- pandocfilters=1.5.0=pyhd3eb1b0_0
- parso=0.8.3=pyhd3eb1b0_0
- pcre=8.45=h295c915_0
- pexpect=4.8.0=pyhd3eb1b0_3
- pickleshare=0.7.5=pyhd3eb1b0_1003
- pillow=8.4.0=py38h5aabda8_0
- pip=21.2.4=py38h06a4308_0
- pluggy=1.0.0=py38h06a4308_0
- prettytable=3.0.0=pyhd8ed1ab_0
- progressbar2=3.37.1=py38h06a4308_0
- prometheus_client=0.13.1=pyhd3eb1b0_0
- prompt-toolkit=3.0.20=pyhd3eb1b0_0
- prompt_toolkit=3.0.20=hd3eb1b0_0
- ptyprocess=0.7.0=pyhd3eb1b0_2
- py=1.11.0=pyhd3eb1b0_0
- pycparser=2.21=pyhd3eb1b0_0
- pygments=2.11.2=pyhd3eb1b0_0
- pyparsing=3.0.4=pyhd3eb1b0_0
- pyqt=5.9.2=py38h05f1152_4
- pyrsistent=0.18.0=py38heee7806_0
- pytables=3.6.1=py38hc386592_3
- pytest=6.2.5=py38h06a4308_2
- pytest-runner=5.3.1=pyhd3eb1b0_0
- python=3.8.12=h12debd9_0
- python-dateutil=2.8.2=pyhd3eb1b0_0
- python-utils=2.5.6=py38h06a4308_0
- python_abi=3.8=2_cp38
- pytz=2021.3=pyhd3eb1b0_0
- pyzmq=22.3.0=py38h295c915_2
- qt=5.9.7=h5867ecd_1
- qtconsole=5.2.2=pyhd3eb1b0_0
- qtpy=1.11.2=pyhd3eb1b0_0
- readline=8.1.2=h7f8727e_1
- scikit-learn=1.0.2=py38h51133e4_1
- scipy=1.7.3=py38hc147768_0
- seaborn=0.11.2=pyhd3eb1b0_0
- send2trash=1.8.0=pyhd3eb1b0_1
- setuptools=58.0.4=py38h06a4308_0
- sip=4.19.13=py38h295c915_0
- six=1.16.0=pyhd3eb1b0_0
- snappy=1.1.8=he6710b0_0
- sqlite=3.37.2=hc218d9a_0
- tbb=2021.5.0=hd09550d_0
- terminado=0.13.1=py38h06a4308_0
- testpath=0.5.0=pyhd3eb1b0_0
- threadpoolctl=2.2.0=pyh0d69192_0
- tk=8.6.11=h1ccaba5_0
- toml=0.10.2=pyhd3eb1b0_0
- tornado=6.1=py38h27cfd23_0
- tqdm=4.62.3=pyhd3eb1b0_1
- traitlets=5.1.1=pyhd3eb1b0_0
- ttclust=4.10.1=pyh7b7c402_0
- vmd-python=3.0.6=py38heac8eca_6
- wcwidth=0.2.5=pyhd3eb1b0_0
- webencodings=0.5.1=py38_1
- wheel=0.37.1=pyhd3eb1b0_0
- widgetsnbextension=3.5.1=py38_0
- xz=5.2.5=h7b6447c_0
- zeromq=4.3.4=h2531618_0
- zipp=3.7.0=pyhd3eb1b0_0
- zlib=1.2.11=h36c2ea0_1013
- zstd=1.4.9=haebb681_0
- pip:
- absl-py==0.13.0
- aiohttp==3.8.1
- aiohttp-cors==0.7.0
- aioredis==1.3.1
- aiosignal==1.2.0
- alembic==1.7.6
- alphafold-colabfold==2.1.4
- appdirs==1.4.4
- async-timeout==4.0.2
- autopage==0.5.0
- blessed==1.19.1
- boto3==1.20.53
- botocore==1.23.53
- cachetools==5.0.0
- cattrs==1.10.0
- charset-normalizer==2.0.11
- chex==0.1.1
- click==8.0.3
- cliff==3.10.0
- cloudpickle==2.0.0
- cmaes==0.8.2
- cmd2==2.3.3
- colabfold==1.2.0
- colorful==0.5.4
- colorlog==6.6.0
- configargparse==1.5.3
- connection-pool==0.0.3
- contextlib2==21.6.0
- dask==2022.1.1
- datrie==0.8.2
- deprecated==1.2.13
- distributed==2022.1.1
- dm-haiku==0.0.4
- dm-tree==0.1.6
- docker==5.0.3
- docutils==0.18.1
- filelock==3.4.2
- flatbuffers==2.0
- frozenlist==1.3.0
- fsspec==2022.1.0
- gast==0.4.0
- gitdb==4.0.9
- gitpython==3.1.27
- google-api-core==2.5.0
- google-auth==2.6.0
- google-auth-oauthlib==0.4.6
- google-pasta==0.2.0
- googleapis-common-protos==1.54.0
- gpustat==1.0.0b1
- greenlet==1.1.2
- grpcio==1.43.0
- h5py==3.6.0
- hdbscan==0.8.28
- heapdict==1.0.1
- hiredis==2.0.0
- idna==3.3
- immutabledict==2.2.1
- importlib-resources==5.4.0
- jax==0.2.28
- jaxlib==0.3.0
- jmespath==0.10.0
- keras==2.7.0
- keras-preprocessing==1.1.2
- libclang==13.0.0
- locket==0.2.1
- mako==1.1.6
- markdown==3.3.6
- matplotlib==3.1.3
- ml-collections==0.1.1
- modin==0.13.2
- modin-spreadsheet==0.1.2
- multidict==6.0.2
- nvidia-ml-py3==7.352.0
- oauthlib==3.2.0
- opencensus==0.8.0
- opencensus-context==0.1.2
- opt-einsum==3.3.0
- optuna==2.10.0
- pandas==1.4.0
- partd==1.2.0
- pbr==5.8.1
- plac==1.3.4
- plumbum==1.7.2
- protobuf==3.19.4
- psutil==5.9.0
- pulp==2.6.0
- py-spy==0.3.11
- py3dmol==1.8.0
- pyarrow==7.0.0
- pyasn1==0.4.8
- pyasn1-modules==0.2.8
- pyfaidx==0.6.4
- pynndescent==0.5.6
- pyperclip==1.8.2
- pyyaml==6.0
- ratelimiter==1.2.0.post0
- ray==1.10.0
- redis==4.1.3
- requests==2.27.1
- requests-cache==0.9.3
- requests-oauthlib==1.3.1
- retry==0.9.2
- rpyc==4.1.5
- rsa==4.8
- s3transfer==0.5.1
- smart-open==5.2.1
- smmap==5.0.0
- snakemake==7.0.1
- sortedcontainers==2.4.0
- sqlalchemy==1.4.31
- stevedore==3.5.0
- stopit==1.1.2
- tabulate==0.8.9
- tblib==1.7.0
- tensorboard==2.8.0
- tensorboard-data-server==0.6.1
- tensorboard-plugin-wit==1.8.1
- tensorflow-cpu==2.7.1
- tensorflow-estimator==2.7.0
- tensorflow-io-gcs-filesystem==0.24.0
- termcolor==1.1.0
- ticc==0.1.4
- toolz==0.11.2
- toposort==1.7
- typing-extensions==4.1.1
- umap-learn==0.5.2
- url-normalize==1.4.3
- urllib3==1.26.8
- websocket-client==1.3.1
- werkzeug==2.0.3
- wrapt==1.13.3
- yarl==1.7.2
- yte==1.2.0
- zict==2.0.0
prefix: /home/hugo/.miniconda3/envs/snca