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environment.yml
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environment.yml
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name: flow
channels:
- conda-forge
- nvidia
- pytorch
dependencies:
- _libgcc_mutex==0.1=conda_forge
- _openmp_mutex==4.5=2_gnu
- anyio==3.7.1=pyhd8ed1ab_0
- argon2-cffi==21.3.0=pyhd8ed1ab_0
- argon2-cffi-bindings==21.2.0=py310h5764c6d_3
- arrow==1.2.3=pyhd8ed1ab_0
- asttokens==2.2.1=pyhd8ed1ab_0
- astunparse==1.6.3=pyhd8ed1ab_0
- async-lru==2.0.4=pyhd8ed1ab_0
- 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
- beautifulsoup4==4.12.2=pyha770c72_0
- biopython==1.81=py310h1fa729e_0
- biotite==0.38.0
- bleach==6.0.0=pyhd8ed1ab_0
- blosc==1.21.4=h0f2a231_0
- brotli==1.0.9=h166bdaf_9
- brotli-bin==1.0.9=h166bdaf_9
- brotli-python==1.0.9=py310hd8f1fbe_9
- bzip2==1.0.8=h7f98852_4
- c-ares==1.19.1=hd590300_0
- c-blosc2==2.10.2=hb4ffafa_0
- ca-certificates==2023.7.22=hbcca054_0
- cached-property==1.5.2=hd8ed1ab_1
- cached_property==1.5.2=pyha770c72_1
- certifi==2023.7.22=pyhd8ed1ab_0
- cffi==1.15.1=py310h255011f_3
- charset-normalizer==3.2.0=pyhd8ed1ab_0
- comm==0.1.4=pyhd8ed1ab_0
- contourpy==1.1.0=py310hd41b1e2_0
- cuda==11.6.0=0
- cuda-cccl==11.6.55=hf6102b2_0
- cuda-command-line-tools==11.6.2=0
- cuda-compiler==11.6.2=0
- cuda-cudart==11.6.55=he381448_0
- cuda-cudart-dev==11.6.55=h42ad0f4_0
- cuda-cuobjdump==11.6.124=h2eeebcb_0
- cuda-cupti==11.6.124=h86345e5_0
- cuda-cuxxfilt==11.6.124=hecbf4f6_0
- cuda-driver-dev==11.6.55=0
- cuda-gdb==12.0.90=hd47b8d6_0
- cuda-libraries==11.6.2=0
- cuda-libraries-dev==11.6.0=0
- cuda-memcheck==11.8.86=0
- cuda-nsight==12.0.78=ha770c72_0
- cuda-nsight-compute==12.2.1=0
- cuda-nvcc==11.6.124=hbba6d2d_0
- cuda-nvdisasm==12.0.76=h59595ed_0
- cuda-nvml-dev==11.6.55=haa9ef22_0
- cuda-nvprof==12.0.90=h59595ed_0
- cuda-nvprune==11.6.124=he22ec0a_0
- cuda-nvrtc==11.6.124=h020bade_0
- cuda-nvrtc-dev==11.6.124=h249d397_0
- cuda-nvtx==11.6.124=h0630a44_0
- cuda-nvvp==12.0.90=h59595ed_0
- cuda-runtime==11.6.2=0
- cuda-samples==11.6.101=h8efea70_0
- cuda-sanitizer-api==12.0.90=h59595ed_0
- cuda-toolkit==11.6.0=0
- cuda-tools==11.6.0=0
- cuda-version==12.0=hffde075_2
- cuda-visual-tools==11.6.0=0
- cycler==0.11.0=pyhd8ed1ab_0
- debugpy==1.6.8=py310hc6cd4ac_0
- decorator==5.1.1=pyhd8ed1ab_0
- defusedxml==0.7.1=pyhd8ed1ab_0
- entrypoints==0.4=pyhd8ed1ab_0
- exceptiongroup==1.1.3=pyhd8ed1ab_0
- executing==1.2.0=pyhd8ed1ab_0
- flit-core==3.9.0=pyhd8ed1ab_0
- fonttools==4.42.0=py310h2372a71_0
- fqdn==1.5.1=pyhd8ed1ab_0
- freetype==2.12.1=hca18f0e_1
- gds-tools==1.5.0.59=hcb278e6_0
- gmp==6.2.1=h58526e2_0
- hdf5==1.14.1=nompi_h4f84152_100
- idna==3.4=pyhd8ed1ab_0
- importlib-metadata==6.8.0=pyha770c72_0
- importlib_metadata==6.8.0=hd8ed1ab_0
- importlib_resources==6.0.1=pyhd8ed1ab_0
- ipykernel==6.25.1=pyh71e2992_0
- ipython==8.14.0=pyh41d4057_0
- isoduration==20.11.0=pyhd8ed1ab_0
- jedi==0.19.0=pyhd8ed1ab_0
- jinja2==3.1.2=pyhd8ed1ab_1
- json5==0.9.14=pyhd8ed1ab_0
- jsonpointer==2.0=py_0
- jsonschema==4.19.0=pyhd8ed1ab_1
- jsonschema-specifications==2023.7.1=pyhd8ed1ab_0
- jsonschema-with-format-nongpl==4.19.0=pyhd8ed1ab_1
- jupyter-lsp==2.2.0=pyhd8ed1ab_0
- jupyter_client==8.3.0=pyhd8ed1ab_0
- jupyter_core==5.3.1=py310hff52083_0
- jupyter_events==0.7.0=pyhd8ed1ab_2
- jupyter_server==2.7.1=pyhd8ed1ab_0
- jupyter_server_terminals==0.4.4=pyhd8ed1ab_1
- jupyterlab==4.0.5=pyhd8ed1ab_0
- jupyterlab_pygments==0.2.2=pyhd8ed1ab_0
- jupyterlab_server==2.24.0=pyhd8ed1ab_0
- keyutils==1.6.1=h166bdaf_0
- kiwisolver==1.4.4=py310hbf28c38_1
- krb5==1.21.2=h659d440_0
- lcms2==2.15=haa2dc70_1
- ld_impl_linux-64==2.40=h41732ed_0
- lerc==4.0.0=h27087fc_0
- libaec==1.0.6=hcb278e6_1
- libblas==3.9.0=17_linux64_openblas
- libbrotlicommon==1.0.9=h166bdaf_9
- libbrotlidec==1.0.9=h166bdaf_9
- libbrotlienc==1.0.9=h166bdaf_9
- libcblas==3.9.0=17_linux64_openblas
- libcublas==12.0.1.189=hcb278e6_2
- libcublas-dev==12.0.1.189=hcb278e6_2
- libcufft==11.0.0.21=hcb278e6_1
- libcufft-dev==11.0.0.21=hcb278e6_1
- libcufile==1.5.0.59=hcb278e6_0
- libcufile-dev==1.5.0.59=hcb278e6_0
- libcurand==10.3.1.50=hcb278e6_0
- libcurand-dev==10.3.1.50=hcb278e6_0
- libcurl==8.2.1=hca28451_0
- libcusolver==11.4.2.57=hcb278e6_1
- libcusparse==12.0.0.76=hcb278e6_1
- libdeflate==1.18=h0b41bf4_0
- libedit==3.1.20191231=he28a2e2_2
- libev==4.33=h516909a_1
- libffi==3.4.2=h7f98852_5
- libgcc-ng==13.1.0=he5830b7_0
- libgfortran-ng==13.1.0=h69a702a_0
- libgfortran5==13.1.0=h15d22d2_0
- libgomp==13.1.0=he5830b7_0
- libjpeg-turbo==2.1.5.1=h0b41bf4_0
- liblapack==3.9.0=17_linux64_openblas
- libnghttp2==1.52.0=h61bc06f_0
- libnpp==12.0.0.30=h59595ed_0
- libnpp-dev==12.0.0.30=h59595ed_0
- libnsl==2.0.0=h7f98852_0
- libnuma==2.0.16=h0b41bf4_1
- libnvjitlink==12.0.76=hcb278e6_1
- libnvjpeg==12.0.0.28=hcb278e6_0
- libnvjpeg-dev==12.0.0.28=ha770c72_0
- libopenblas==0.3.23=pthreads_h80387f5_0
- libpng==1.6.39=h753d276_0
- libsodium==1.0.18=h36c2ea0_1
- libsqlite==3.42.0=h2797004_0
- libssh2==1.11.0=h0841786_0
- libstdcxx-ng==13.1.0=hfd8a6a1_0
- libtiff==4.5.1=h8b53f26_0
- libuuid==2.38.1=h0b41bf4_0
- libwebp-base==1.3.1=hd590300_0
- libxcb==1.15=h0b41bf4_0
- libzlib==1.2.13=hd590300_5
- lz4-c==1.9.4=hcb278e6_0
- lzo==2.10=h516909a_1000
- markupsafe==2.1.3=py310h2372a71_0
- matplotlib-base==3.7.2=py310hf38f957_0
- matplotlib-inline==0.1.6=pyhd8ed1ab_0
- mdtraj==1.9.9=py310h8e08b51_0
- mistune==3.0.1=pyhd8ed1ab_0
- munkres==1.1.4=pyh9f0ad1d_0
- nbclient==0.8.0=pyhd8ed1ab_0
- nbconvert-core==7.7.4=pyhd8ed1ab_0
- nbformat==5.9.2=pyhd8ed1ab_0
- ncurses==6.4=hcb278e6_0
- nest-asyncio==1.5.6=pyhd8ed1ab_0
- nomkl==1.0=h5ca1d4c_0
- notebook-shim==0.2.3=pyhd8ed1ab_0
- nsight-compute==2023.2.1.3=0
- numexpr==2.8.4=py310hd91493a_101
- numpy==1.25.2=py310ha4c1d20_0
- openjpeg==2.5.0=hfec8fc6_2
- openssl==3.1.2=hd590300_0
- overrides==7.4.0=pyhd8ed1ab_0
- packaging==23.1=pyhd8ed1ab_0
- pandas==2.0.3=py310h7cbd5c2_1
- pandocfilters==1.5.0=pyhd8ed1ab_0
- parso==0.8.3=pyhd8ed1ab_0
- patsy==0.5.3=pyhd8ed1ab_0
- pexpect==4.8.0=pyh1a96a4e_2
- pickleshare==0.7.5=py_1003
- pillow==10.0.0=py310h582fbeb_0
- pip
- pkgutil-resolve-name==1.3.10=pyhd8ed1ab_0
- platformdirs==3.10.0=pyhd8ed1ab_0
- pooch==1.7.0=pyha770c72_3
- prometheus_client==0.17.1=pyhd8ed1ab_0
- prompt-toolkit==3.0.39=pyha770c72_0
- prompt_toolkit==3.0.39=hd8ed1ab_0
- psutil==5.9.5=py310h1fa729e_0
- pthread-stubs==0.4=h36c2ea0_1001
- ptyprocess==0.7.0=pyhd3deb0d_0
- pure_eval==0.2.2=pyhd8ed1ab_0
- py-cpuinfo==9.0.0=pyhd8ed1ab_0
- pycparser==2.21=pyhd8ed1ab_0
- pygments==2.16.1=pyhd8ed1ab_0
- pyparsing==3.0.9=pyhd8ed1ab_0
- pysocks==1.7.1=pyha2e5f31_6
- pytables==3.8.0=py310ha028ce3_2
- python==3.10.12=hd12c33a_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==3.10=3_cp310
- pytorch-cuda==11.6=h867d48c_0
- pytz==2023.3=pyhd8ed1ab_0
- pyyaml==6.0=py310h5764c6d_5
- pyzmq==25.1.1=py310h5bbb5d0_0
- readline==8.2=h8228510_1
- referencing==0.30.2=pyhd8ed1ab_0
- requests==2.31.0=pyhd8ed1ab_0
- rfc3339-validator==0.1.4=pyhd8ed1ab_0
- rfc3986-validator==0.1.1=pyh9f0ad1d_0
- rpds-py==0.9.2=py310hcb5633a_0
- scipy==1.11.1=py310ha4c1d20_0
- seaborn==0.12.2=hd8ed1ab_0
- seaborn-base==0.12.2=pyhd8ed1ab_0
- send2trash==1.8.2=pyh41d4057_0
- setuptools==68.1.2=pyhd8ed1ab_0
- six==1.16.0=pyh6c4a22f_0
- snappy==1.1.10=h9fff704_0
- sniffio==1.3.0=pyhd8ed1ab_0
- soupsieve==2.3.2.post1=pyhd8ed1ab_0
- stack_data==0.6.2=pyhd8ed1ab_0
- statsmodels==0.14.0=py310h278f3c1_1
- terminado==0.17.1=pyh41d4057_0
- tinycss2==1.2.1=pyhd8ed1ab_0
- tk==8.6.12=h27826a3_0
- tomli==2.0.1=pyhd8ed1ab_0
- tornado==6.3.3=py310h2372a71_0
- traitlets==5.9.0=pyhd8ed1ab_0
- typing-extensions==4.7.1=hd8ed1ab_0
- typing_extensions==4.7.1=pyha770c72_0
- typing_utils==0.1.0=pyhd8ed1ab_0
- tzdata==2023c=h71feb2d_0
- unicodedata2==15.0.0=py310h5764c6d_0
- uri-template==1.3.0=pyhd8ed1ab_0
- urllib3==2.0.4=pyhd8ed1ab_0
- wcwidth==0.2.6=pyhd8ed1ab_0
- webcolors==1.13=pyhd8ed1ab_0
- webencodings==0.5.1=py_1
- websocket-client==1.6.1=pyhd8ed1ab_0
- wheel==0.41.1=pyhd8ed1ab_0
- xorg-libxau==1.0.11=hd590300_0
- xorg-libxdmcp==1.1.3=h7f98852_0
- xz==5.2.6=h166bdaf_0
- yaml==0.2.5=h7f98852_2
- zeromq==4.3.4=h9c3ff4c_1
- zipp==3.16.2=pyhd8ed1ab_0
- zlib==1.2.13=hd590300_5
- zlib-ng==2.0.7=h0b41bf4_0
- zstd==1.5.2=hfc55251_7