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environment.yml
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environment.yml
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name: profis
channels:
- pytorch
- conda-forge
- defaults
dependencies:
- _libgcc_mutex=0.1=conda_forge
- _openmp_mutex=4.5=2_gnu
- _py-xgboost-mutex=2.0=gpu_0
- adjusttext=0.7.3.1=py_1
- alsa-lib=1.2.10=hd590300_0
- anyio=4.0.0=pyhd8ed1ab_0
- appdirs=1.4.4=pyh9f0ad1d_0
- argon2-cffi=21.3.0=pyhd8ed1ab_0
- argon2-cffi-bindings=21.2.0=py311h459d7ec_4
- arrow=1.2.3=pyhd8ed1ab_0
- asttokens=2.4.0=pyhd8ed1ab_0
- async-lru=2.0.4=pyhd8ed1ab_0
- attr=2.5.1=h166bdaf_1
- attrs=23.1.0=pyh71513ae_1
- babel=2.12.1=pyhd8ed1ab_1
- backcall=0.2.0=pyh9f0ad1d_0
- backports=1.0=pyhd8ed1ab_3
- backports.functools_lru_cache=1.6.5=pyhd8ed1ab_0
- bayesian-optimization=1.4.3=pyhd8ed1ab_0
- beautifulsoup4=4.12.2=pyha770c72_0
- blas=1.0=mkl
- bleach=6.0.0=pyhd8ed1ab_0
- boost=1.78.0=py311h92ebd52_5
- boost-cpp=1.78.0=h2c5509c_4
- brotli=1.1.0=hd590300_1
- brotli-bin=1.1.0=hd590300_1
- brotli-python=1.1.0=py311hb755f60_1
- brotlipy=0.7.0=py311h459d7ec_1006
- bzip2=1.0.8=hd590300_5
- ca-certificates=2024.2.2=hbcca054_0
- cached-property=1.5.2=hd8ed1ab_1
- cached_property=1.5.2=pyha770c72_1
- cairo=1.16.0=h0c91306_1017
- certifi=2024.2.2=pyhd8ed1ab_0
- cffi=1.15.1=py311hb3a22ac_5
- charset-normalizer=2.0.4=pyhd8ed1ab_0
- click=8.1.7=unix_pyh707e725_0
- colorama=0.4.6=pyhd8ed1ab_0
- comm=0.1.4=pyhd8ed1ab_0
- contourpy=1.1.1=py311h9547e67_1
- coverage=7.5.1=py311h331c9d8_0
- cramjam=2.7.0=py311h46250e7_1
- cryptography=41.0.3=py311h63ff55d_0
- cuda-version=12.4=h3060b56_3
- cycler=0.11.0=pyhd8ed1ab_0
- dbus=1.13.6=h5008d03_3
- debugpy=1.8.0=py311hb755f60_1
- decorator=5.1.1=pyhd8ed1ab_0
- deepsmiles=1.0.1=py_0
- defusedxml=0.7.1=pyhd8ed1ab_0
- docker-pycreds=0.4.0=py_0
- entrypoints=0.4=pyhd8ed1ab_0
- exceptiongroup=1.1.3=pyhd8ed1ab_0
- executing=1.2.0=pyhd8ed1ab_0
- expat=2.5.0=hcb278e6_1
- fastparquet=2023.8.0=py311h1f0f07a_1
- filelock=3.9.0=pyhd8ed1ab_0
- flit-core=3.9.0=pyhd8ed1ab_1
- font-ttf-dejavu-sans-mono=2.37=hab24e00_0
- font-ttf-inconsolata=3.000=h77eed37_0
- font-ttf-source-code-pro=2.038=h77eed37_0
- font-ttf-ubuntu=0.83=h77eed37_2
- fontconfig=2.14.2=h14ed4e7_0
- fonts-conda-ecosystem=1=0
- fonts-conda-forge=1=0
- fonttools=4.42.1=py311h459d7ec_0
- fqdn=1.5.1=pyhd8ed1ab_0
- freetype=2.12.1=h267a509_2
- freetype-py=2.3.0=pyhd8ed1ab_0
- fsspec=2023.9.2=pyh1a96a4e_0
- gettext=0.21.1=h27087fc_0
- gitdb=4.0.10=pyhd8ed1ab_0
- gitpython=3.1.37=pyhd8ed1ab_0
- glib=2.78.0=hfc55251_0
- glib-tools=2.78.0=hfc55251_0
- gmp=6.2.1=h58526e2_0
- gmpy2=2.1.2=py311hc9b5ff0_0
- graphite2=1.3.13=h59595ed_1003
- greenlet=2.0.2=py311hb755f60_1
- gst-plugins-base=1.22.6=h8e1006c_2
- gstreamer=1.22.6=h98fc4e7_2
- harfbuzz=8.2.1=h3d44ed6_0
- icu=73.2=h59595ed_0
- idna=3.4=pyhd8ed1ab_0
- importlib-metadata=6.8.0=pyha770c72_0
- importlib_metadata=6.8.0=hd8ed1ab_0
- importlib_resources=6.1.0=pyhd8ed1ab_0
- iniconfig=2.0.0=pyhd8ed1ab_0
- intel-openmp=2021.4.0=h06a4308_3561
- ipykernel=6.25.2=pyh2140261_0
- ipython=8.15.0=pyh0d859eb_0
- ipython_genutils=0.2.0=py_1
- ipywidgets=8.1.1=pyhd8ed1ab_0
- isoduration=20.11.0=pyhd8ed1ab_0
- jedi=0.19.0=pyhd8ed1ab_0
- jinja2=3.1.2=pyhd8ed1ab_1
- joblib=1.3.2=pyhd8ed1ab_0
- json5=0.9.14=pyhd8ed1ab_0
- jsonpointer=2.4=py311h38be061_3
- jsonschema=4.19.1=pyhd8ed1ab_0
- jsonschema-specifications=2023.7.1=pyhd8ed1ab_0
- jsonschema-with-format-nongpl=4.19.1=pyhd8ed1ab_0
- jupyter=1.0.0=pyhd8ed1ab_10
- jupyter-lsp=2.2.0=pyhd8ed1ab_0
- jupyter_client=8.3.1=pyhd8ed1ab_0
- jupyter_console=6.6.3=pyhd8ed1ab_0
- jupyter_core=4.12.0=py311h38be061_0
- jupyter_events=0.7.0=pyhd8ed1ab_2
- jupyter_server=2.7.3=pyhd8ed1ab_1
- jupyter_server_terminals=0.4.4=pyhd8ed1ab_1
- jupyterlab=4.0.6=pyhd8ed1ab_0
- jupyterlab_pygments=0.2.2=pyhd8ed1ab_0
- jupyterlab_server=2.25.0=pyhd8ed1ab_0
- jupyterlab_widgets=3.0.9=pyhd8ed1ab_0
- keyutils=1.6.1=h166bdaf_0
- kiwisolver=1.4.5=py311h9547e67_1
- krb5=1.21.2=h659d440_0
- lame=3.100=h166bdaf_1003
- lcms2=2.15=h7f713cb_2
- ld_impl_linux-64=2.40=h55db66e_0
- lerc=4.0.0=h27087fc_0
- libabseil=20230802.1=cxx17_h59595ed_0
- libblas=3.9.0=12_linux64_mkl
- libbrotlicommon=1.1.0=hd590300_1
- libbrotlidec=1.1.0=hd590300_1
- libbrotlienc=1.1.0=hd590300_1
- libcap=2.69=h0f662aa_0
- libcblas=3.9.0=12_linux64_mkl
- libclang=15.0.7=default_h127d8a8_5
- libclang13=15.0.7=default_h5d6823c_5
- libcups=2.3.3=h4637d8d_4
- libdeflate=1.19=hd590300_0
- libedit=3.1.20191231=he28a2e2_2
- libevent=2.1.12=hf998b51_1
- libexpat=2.5.0=hcb278e6_1
- libffi=3.4.2=h7f98852_5
- libflac=1.4.3=h59595ed_0
- libgcc-ng=13.2.0=h77fa898_7
- libgcrypt=1.10.1=h166bdaf_0
- libgfortran-ng=13.2.0=h69a702a_7
- libgfortran5=13.2.0=hca663fb_7
- libglib=2.78.0=hebfc3b9_0
- libgomp=13.2.0=h77fa898_7
- libgpg-error=1.47=h71f35ed_0
- libiconv=1.17=hd590300_2
- libjpeg-turbo=2.1.5.1=hd590300_1
- liblapack=3.9.0=12_linux64_mkl
- libllvm15=15.0.7=h5cf9203_3
- libnsl=2.0.0=hd590300_1
- libogg=1.3.4=h7f98852_1
- libopenblas=0.3.24=pthreads_h413a1c8_0
- libopus=1.3.1=h7f98852_1
- libpng=1.6.39=h753d276_0
- libpq=15.4=hfc447b1_2
- libprotobuf=4.23.4=hf27288f_6
- libsndfile=1.2.2=hbc2eb40_0
- libsodium=1.0.18=h36c2ea0_1
- libsqlite=3.43.0=h2797004_0
- libstdcxx-ng=13.2.0=hc0a3c3a_7
- libsystemd0=254=h3516f8a_0
- libtiff=4.6.0=h29866fb_1
- libuuid=2.38.1=h0b41bf4_0
- libvorbis=1.3.7=h9c3ff4c_0
- libwebp-base=1.3.2=hd590300_1
- libxcb=1.15=h0b41bf4_0
- libxgboost=2.0.3=cuda120_h9dfd3e9_4
- libxkbcommon=1.5.0=h5d7e998_3
- libxml2=2.11.5=h232c23b_1
- libzlib=1.2.13=hd590300_5
- lz4-c=1.9.4=hcb278e6_0
- markupsafe=2.1.1=py311hd4cff14_2
- matplotlib-base=3.8.0=py311h54ef318_2
- matplotlib-inline=0.1.6=pyhd8ed1ab_0
- mistune=3.0.1=pyhd8ed1ab_0
- mkl=2021.4.0=h06a4308_640
- mkl-service=2.4.0=py311h5eee18b_0
- mkl_fft=1.3.1=py311h30b3d60_0
- mkl_random=1.2.2=py311hba01205_0
- mpc=1.1.0=h04dde30_1009
- mpfr=4.0.2=he80fd80_1
- mpg123=1.31.3=hcb278e6_0
- mpmath=1.3.0=pyhd8ed1ab_0
- munkres=1.1.4=pyh9f0ad1d_0
- mysql-common=8.0.33=hf1915f5_5
- mysql-libs=8.0.33=hca2cd23_5
- nbclient=0.8.0=pyhd8ed1ab_0
- nbconvert=7.8.0=pyhd8ed1ab_0
- nbconvert-core=7.8.0=pyhd8ed1ab_0
- nbconvert-pandoc=7.8.0=pyhd8ed1ab_0
- nbformat=5.9.2=pyhd8ed1ab_0
- nccl=2.21.5.1=h3a97aeb_0
- ncurses=6.4.20240210=h59595ed_0
- nest-asyncio=1.5.6=pyhd8ed1ab_0
- networkx=3.1=pyhd8ed1ab_0
- notebook=7.0.4=pyhd8ed1ab_0
- notebook-shim=0.2.3=pyhd8ed1ab_0
- nspr=4.35=h27087fc_0
- nss=3.92=h1d7d5a4_0
- numpy=1.24.3=py311hc206e33_0
- numpy-base=1.24.3=py311hfd5febd_0
- openjpeg=2.5.0=h488ebb8_3
- openssl=3.1.5=hd590300_0
- overrides=7.4.0=pyhd8ed1ab_0
- packaging=23.1=pyhd8ed1ab_0
- pandas=2.1.1=py311h320fe9a_1
- pandoc=3.1.3=h32600fe_0
- pandocfilters=1.5.0=pyhd8ed1ab_0
- parso=0.8.3=pyhd8ed1ab_0
- pathtools=0.1.2=py_1
- patsy=0.5.3=pyhd8ed1ab_0
- pcre2=10.40=hc3806b6_0
- pexpect=4.8.0=pyh1a96a4e_2
- pickleshare=0.7.5=py_1003
- pillow=10.0.1=py311h8aef010_1
- pip=23.2.1=pyhd8ed1ab_0
- pixman=0.40.0=h36c2ea0_0
- pkgutil-resolve-name=1.3.10=pyhd8ed1ab_1
- pluggy=1.5.0=pyhd8ed1ab_0
- ply=3.11=pyhd8ed1ab_2
- pooch=1.4.0=pyhd8ed1ab_0
- prometheus_client=0.17.1=pyhd8ed1ab_0
- prompt-toolkit=3.0.39=pyha770c72_0
- prompt_toolkit=3.0.39=hd8ed1ab_0
- protobuf=4.23.4=py311h46cbc50_3
- psutil=5.9.5=py311h459d7ec_1
- pthread-stubs=0.4=h36c2ea0_1001
- ptyprocess=0.7.0=pyhd3deb0d_0
- pulseaudio-client=16.1=hb77b528_5
- pure_eval=0.2.2=pyhd8ed1ab_0
- py-xgboost=2.0.3=cuda120_pyh3ef1b53_4
- pycairo=1.24.0=py311h8feb60e_0
- pycparser=2.21=pyhd8ed1ab_0
- pygments=2.16.1=pyhd8ed1ab_0
- pyopenssl=23.2.0=pyhd8ed1ab_1
- pyparsing=3.1.1=pyhd8ed1ab_0
- pyqt=5.15.9=py311hf0fb5b6_5
- pyqt5-sip=12.12.2=py311hb755f60_5
- pysocks=1.7.1=pyha2e5f31_6
- pytest=8.2.0=pyhd8ed1ab_0
- pytest-cov=5.0.0=pyhd8ed1ab_0
- python=3.11.5=hab00c5b_0_cpython
- python-dateutil=2.8.2=pyhd8ed1ab_0
- python-fastjsonschema=2.18.0=pyhd8ed1ab_0
- python-json-logger=2.0.7=pyhd8ed1ab_0
- python-tzdata=2023.3=pyhd8ed1ab_0
- python_abi=3.11=4_cp311
- pytorch-mutex=1.0=cuda
- pytz=2023.3.post1=pyhd8ed1ab_0
- pyyaml=6.0.1=py311h459d7ec_1
- pyzmq=25.1.1=py311h75c88c4_1
- qt-main=5.15.8=hc47bfe8_16
- qtconsole=5.4.4=pyhd8ed1ab_0
- qtconsole-base=5.4.4=pyha770c72_0
- qtpy=2.4.0=pyhd8ed1ab_0
- rdkit=2023.03.3=py311hc21844d_0
- readline=8.2=h8228510_1
- referencing=0.30.2=pyhd8ed1ab_0
- reportlab=4.0.4=py311h459d7ec_0
- requests=2.31.0=pyhd8ed1ab_0
- rfc3339-validator=0.1.4=pyhd8ed1ab_0
- rfc3986-validator=0.1.1=pyh9f0ad1d_0
- rlpycairo=0.2.0=pyhd8ed1ab_0
- rpds-py=0.10.3=py311h46250e7_1
- scikit-learn=1.3.1=py311hc009520_1
- scipy=1.10.1=py311h64a7726_3
- seaborn=0.12.2=hd8ed1ab_0
- seaborn-base=0.12.2=pyhd8ed1ab_0
- selfies=2.1.1=pyhd8ed1ab_0
- send2trash=1.8.2=pyh41d4057_0
- sentry-sdk=1.31.0=pyhd8ed1ab_0
- setproctitle=1.3.2=py311h459d7ec_2
- setuptools=68.2.2=pyhd8ed1ab_0
- sip=6.7.11=py311hb755f60_1
- six=1.16.0=pyh6c4a22f_0
- smmap=3.0.5=pyh44b312d_0
- sniffio=1.3.0=pyhd8ed1ab_0
- soupsieve=2.5=pyhd8ed1ab_1
- sqlalchemy=1.4.49=py311h459d7ec_1
- stack_data=0.6.2=pyhd8ed1ab_0
- statsmodels=0.14.0=py311h1f0f07a_3
- sympy=1.11.1=pypyh9d50eac_103
- terminado=0.17.1=pyh41d4057_0
- threadpoolctl=3.2.0=pyha21a80b_0
- tinycss2=1.2.1=pyhd8ed1ab_0
- tk=8.6.13=noxft_h4845f30_101
- toml=0.10.2=pyhd8ed1ab_0
- tomli=2.0.1=pyhd8ed1ab_0
- tornado=6.3.3=py311h459d7ec_1
- tqdm=4.66.1=pyhd8ed1ab_0
- traitlets=5.10.0=pyhd8ed1ab_0
- typing_extensions=4.7.1=pyha770c72_0
- typing_utils=0.1.0=pyhd8ed1ab_0
- tzdata=2023c=h71feb2d_0
- uri-template=1.3.0=pyhd8ed1ab_0
- urllib3=1.26.16=pyhd8ed1ab_0
- wandb=0.15.11=pyhd8ed1ab_0
- wcwidth=0.2.6=pyhd8ed1ab_0
- webcolors=1.13=pyhd8ed1ab_0
- webencodings=0.5.1=pyhd8ed1ab_2
- websocket-client=1.6.3=pyhd8ed1ab_0
- wheel=0.41.2=pyhd8ed1ab_0
- widgetsnbextension=4.0.9=pyhd8ed1ab_0
- xcb-util=0.4.0=hd590300_1
- xcb-util-image=0.4.0=h8ee46fc_1
- xcb-util-keysyms=0.4.0=h8ee46fc_1
- xcb-util-renderutil=0.3.9=hd590300_1
- xcb-util-wm=0.4.1=h8ee46fc_1
- xgboost=2.0.3=cuda120_pyh68bd8d9_4
- xkeyboard-config=2.39=hd590300_0
- xorg-kbproto=1.0.7=h7f98852_1002
- xorg-libice=1.1.1=hd590300_0
- xorg-libsm=1.2.4=h7391055_0
- xorg-libx11=1.8.6=h8ee46fc_0
- xorg-libxau=1.0.11=hd590300_0
- xorg-libxdmcp=1.1.3=h7f98852_0
- xorg-libxext=1.3.4=h0b41bf4_2
- xorg-libxrender=0.9.11=hd590300_0
- xorg-renderproto=0.11.1=h7f98852_1002
- xorg-xextproto=7.3.0=h0b41bf4_1003
- xorg-xf86vidmodeproto=2.3.1=h7f98852_1002
- xorg-xproto=7.0.31=h7f98852_1007
- xz=5.2.6=h166bdaf_0
- yaml=0.2.5=h7f98852_2
- zeromq=4.3.4=h9c3ff4c_1
- zipp=3.17.0=pyhd8ed1ab_0
- zlib=1.2.13=hd590300_5
- zstd=1.5.5=hfc55251_0
- pip:
- astroid==3.2.0
- cmake==3.29.2
- dill==0.3.8
- isort==5.13.2
- lit==18.1.4
- mccabe==0.7.0
- nvidia-cublas-cu11==11.10.3.66
- nvidia-cuda-cupti-cu11==11.7.101
- nvidia-cuda-nvrtc-cu11==11.7.99
- nvidia-cuda-runtime-cu11==11.7.99
- nvidia-cudnn-cu11==8.5.0.96
- nvidia-cufft-cu11==10.9.0.58
- nvidia-curand-cu11==10.2.10.91
- nvidia-cusolver-cu11==11.4.0.1
- nvidia-cusparse-cu11==11.7.4.91
- nvidia-nccl-cu11==2.14.3
- nvidia-nvtx-cu11==11.7.91
- platformdirs==4.2.2
- pylint==3.2.0
- tomlkit==0.12.5
- torch==2.0.1
- triton==2.0.0
prefix: /home/hubert/miniconda3/envs/profis