Initial commit: FlowDock pipeline configured for WES execution
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This commit is contained in:
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environments/flowdock_environment.yaml
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540
environments/flowdock_environment.yaml
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name: FlowDock
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channels:
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- pytorch
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- pyg
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- senyan.dev
|
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- nvidia
|
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- conda-forge
|
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dependencies:
|
||||
- _libgcc_mutex=0.1=conda_forge
|
||||
- _openmp_mutex=4.5=3_kmp_llvm
|
||||
- aiohappyeyeballs=2.6.1=pyhd8ed1ab_0
|
||||
- aiohttp=3.11.13=py310h89163eb_0
|
||||
- aiosignal=1.3.2=pyhd8ed1ab_0
|
||||
- alsa-lib=1.2.13=hb9d3cd8_0
|
||||
- ambertools=24.8=cuda_None_nompi_py310h834fefc_101
|
||||
- annotated-types=0.7.0=pyhd8ed1ab_1
|
||||
- anyio=4.8.0=pyhd8ed1ab_0
|
||||
- aom=3.9.1=hac33072_0
|
||||
- argon2-cffi=23.1.0=pyhd8ed1ab_1
|
||||
- argon2-cffi-bindings=21.2.0=py310ha75aee5_5
|
||||
- arpack=3.9.1=nompi_hf03ea27_102
|
||||
- arrow=1.3.0=pyhd8ed1ab_1
|
||||
- asttokens=3.0.0=pyhd8ed1ab_1
|
||||
- async-lru=2.0.4=pyhd8ed1ab_1
|
||||
- async-timeout=5.0.1=pyhd8ed1ab_1
|
||||
- attr=2.5.1=h166bdaf_1
|
||||
- attrs=25.3.0=pyh71513ae_0
|
||||
- babel=2.17.0=pyhd8ed1ab_0
|
||||
- beautifulsoup4=4.13.3=pyha770c72_0
|
||||
- blas=2.116=mkl
|
||||
- blas-devel=3.9.0=16_linux64_mkl
|
||||
- bleach=6.2.0=pyh29332c3_4
|
||||
- bleach-with-css=6.2.0=h82add2a_4
|
||||
- blosc=1.21.6=he440d0b_1
|
||||
- brotli=1.1.0=hb9d3cd8_2
|
||||
- brotli-bin=1.1.0=hb9d3cd8_2
|
||||
- brotli-python=1.1.0=py310hf71b8c6_2
|
||||
- bson=0.5.10=pyhd8ed1ab_0
|
||||
- bzip2=1.0.8=h4bc722e_7
|
||||
- c-ares=1.34.4=hb9d3cd8_0
|
||||
- c-blosc2=2.15.2=h3122c55_1
|
||||
- ca-certificates=2025.1.31=hbcca054_0
|
||||
- cached-property=1.5.2=hd8ed1ab_1
|
||||
- cached_property=1.5.2=pyha770c72_1
|
||||
- cachetools=5.5.2=pyhd8ed1ab_0
|
||||
- cairo=1.18.4=h3394656_0
|
||||
- certifi=2025.1.31=pyhd8ed1ab_0
|
||||
- cffi=1.17.1=py310h8deb56e_0
|
||||
- chardet=5.2.0=pyhd8ed1ab_3
|
||||
- charset-normalizer=3.4.1=pyhd8ed1ab_0
|
||||
- colorama=0.4.6=pyhd8ed1ab_1
|
||||
- comm=0.2.2=pyhd8ed1ab_1
|
||||
- contourpy=1.3.1=py310h3788b33_0
|
||||
- cpython=3.10.16=py310hd8ed1ab_1
|
||||
- cuda-cudart=11.8.89=0
|
||||
- cuda-cupti=11.8.87=0
|
||||
- cuda-libraries=11.8.0=0
|
||||
- cuda-nvrtc=11.8.89=0
|
||||
- cuda-nvtx=11.8.86=0
|
||||
- cuda-runtime=11.8.0=0
|
||||
- cuda-version=11.8=h70ddcb2_3
|
||||
- cudatoolkit=11.8.0=h4ba93d1_13
|
||||
- cudatoolkit-dev=11.8.0=h1fa729e_6
|
||||
- cycler=0.12.1=pyhd8ed1ab_1
|
||||
- cyrus-sasl=2.1.27=h54b06d7_7
|
||||
- dav1d=1.2.1=hd590300_0
|
||||
- dbus=1.13.6=h5008d03_3
|
||||
- debugpy=1.8.13=py310hf71b8c6_0
|
||||
- decorator=5.2.1=pyhd8ed1ab_0
|
||||
- defusedxml=0.7.1=pyhd8ed1ab_0
|
||||
- deprecated=1.2.18=pyhd8ed1ab_0
|
||||
- exceptiongroup=1.2.2=pyhd8ed1ab_1
|
||||
- expat=2.6.4=h5888daf_0
|
||||
- ffmpeg=7.1.1=gpl_h24e5c1d_701
|
||||
- fftw=3.3.10=nompi_hf1063bd_110
|
||||
- filelock=3.18.0=pyhd8ed1ab_0
|
||||
- flexcache=0.3=pyhd8ed1ab_1
|
||||
- flexparser=0.4=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_3
|
||||
- fontconfig=2.15.0=h7e30c49_1
|
||||
- fonts-conda-ecosystem=1=0
|
||||
- fonts-conda-forge=1=0
|
||||
- fonttools=4.56.0=py310h89163eb_0
|
||||
- fqdn=1.5.1=pyhd8ed1ab_1
|
||||
- freetype=2.13.3=h48d6fc4_0
|
||||
- freetype-py=2.3.0=pyhd8ed1ab_0
|
||||
- fribidi=1.0.10=h36c2ea0_0
|
||||
- frozenlist=1.5.0=py310h89163eb_1
|
||||
- fsspec=2025.3.0=pyhd8ed1ab_0
|
||||
- gdk-pixbuf=2.42.12=hb9ae30d_0
|
||||
- gettext=0.23.1=h5888daf_0
|
||||
- gettext-tools=0.23.1=h5888daf_0
|
||||
- gmp=6.3.0=hac33072_2
|
||||
- gmpy2=2.1.5=py310he8512ff_3
|
||||
- graphite2=1.3.13=h59595ed_1003
|
||||
- greenlet=3.1.1=py310hf71b8c6_1
|
||||
- h11=0.14.0=pyhd8ed1ab_1
|
||||
- h2=4.2.0=pyhd8ed1ab_0
|
||||
- harfbuzz=10.4.0=h76408a6_0
|
||||
- hdf4=4.2.15=h2a13503_7
|
||||
- hdf5=1.14.4=nompi_h2d575fe_105
|
||||
- hpack=4.1.0=pyhd8ed1ab_0
|
||||
- httpcore=1.0.7=pyh29332c3_1
|
||||
- httpx=0.28.1=pyhd8ed1ab_0
|
||||
- hyperframe=6.1.0=pyhd8ed1ab_0
|
||||
- icu=75.1=he02047a_0
|
||||
- idna=3.10=pyhd8ed1ab_1
|
||||
- importlib-metadata=8.6.1=pyha770c72_0
|
||||
- importlib_resources=6.5.2=pyhd8ed1ab_0
|
||||
- ipykernel=6.29.5=pyh3099207_0
|
||||
- ipython=8.34.0=pyh907856f_0
|
||||
- isoduration=20.11.0=pyhd8ed1ab_1
|
||||
- jack=1.9.22=h7c63dc7_2
|
||||
- jedi=0.19.2=pyhd8ed1ab_1
|
||||
- jinja2=3.1.6=pyhd8ed1ab_0
|
||||
- joblib=1.4.2=pyhd8ed1ab_1
|
||||
- json5=0.10.0=pyhd8ed1ab_1
|
||||
- jsonpointer=3.0.0=py310hff52083_1
|
||||
- jsonschema=4.23.0=pyhd8ed1ab_1
|
||||
- jsonschema-specifications=2024.10.1=pyhd8ed1ab_1
|
||||
- jsonschema-with-format-nongpl=4.23.0=hd8ed1ab_1
|
||||
- jupyter-lsp=2.2.5=pyhd8ed1ab_1
|
||||
- jupyter_client=8.6.3=pyhd8ed1ab_1
|
||||
- jupyter_core=5.7.2=pyh31011fe_1
|
||||
- jupyter_events=0.12.0=pyh29332c3_0
|
||||
- jupyter_server=2.15.0=pyhd8ed1ab_0
|
||||
- jupyter_server_terminals=0.5.3=pyhd8ed1ab_1
|
||||
- jupyterlab=4.3.6=pyhd8ed1ab_0
|
||||
- jupyterlab_pygments=0.3.0=pyhd8ed1ab_2
|
||||
- jupyterlab_server=2.27.3=pyhd8ed1ab_1
|
||||
- jupyterlab_widgets=3.0.13=pyhd8ed1ab_1
|
||||
- kernel-headers_linux-64=3.10.0=he073ed8_18
|
||||
- keyutils=1.6.1=h166bdaf_0
|
||||
- kiwisolver=1.4.7=py310h3788b33_0
|
||||
- krb5=1.21.3=h659f571_0
|
||||
- lame=3.100=h166bdaf_1003
|
||||
- lcms2=2.17=h717163a_0
|
||||
- ld_impl_linux-64=2.43=h712a8e2_4
|
||||
- lerc=4.0.0=h27087fc_0
|
||||
- level-zero=1.21.2=h84d6215_0
|
||||
- libabseil=20250127.0=cxx17_hbbce691_0
|
||||
- libaec=1.1.3=h59595ed_0
|
||||
- libasprintf=0.23.1=h8e693c7_0
|
||||
- libasprintf-devel=0.23.1=h8e693c7_0
|
||||
- libass=0.17.3=hba53ac1_1
|
||||
- libblas=3.9.0=16_linux64_mkl
|
||||
- libboost=1.86.0=h6c02f8c_3
|
||||
- libboost-python=1.86.0=py310ha2bacc8_3
|
||||
- libbrotlicommon=1.1.0=hb9d3cd8_2
|
||||
- libbrotlidec=1.1.0=hb9d3cd8_2
|
||||
- libbrotlienc=1.1.0=hb9d3cd8_2
|
||||
- libcap=2.75=h39aace5_0
|
||||
- libcblas=3.9.0=16_linux64_mkl
|
||||
- libcublas=11.11.3.6=0
|
||||
- libcufft=10.9.0.58=0
|
||||
- libcufile=1.9.1.3=0
|
||||
- libcurand=10.3.5.147=0
|
||||
- libcurl=8.12.1=h332b0f4_0
|
||||
- libcusolver=11.4.1.48=0
|
||||
- libcusparse=11.7.5.86=0
|
||||
- libdb=6.2.32=h9c3ff4c_0
|
||||
- libdeflate=1.23=h4ddbbb0_0
|
||||
- libdrm=2.4.124=hb9d3cd8_0
|
||||
- libedit=3.1.20250104=pl5321h7949ede_0
|
||||
- libegl=1.7.0=ha4b6fd6_2
|
||||
- libev=4.33=hd590300_2
|
||||
- libexpat=2.6.4=h5888daf_0
|
||||
- libffi=3.4.6=h2dba641_0
|
||||
- libflac=1.4.3=h59595ed_0
|
||||
- libgcc=14.2.0=h767d61c_2
|
||||
- libgcc-ng=14.2.0=h69a702a_2
|
||||
- libgcrypt-lib=1.11.0=hb9d3cd8_2
|
||||
- libgettextpo=0.23.1=h5888daf_0
|
||||
- libgettextpo-devel=0.23.1=h5888daf_0
|
||||
- libgfortran=14.2.0=h69a702a_2
|
||||
- libgfortran-ng=14.2.0=h69a702a_2
|
||||
- libgfortran5=14.2.0=hf1ad2bd_2
|
||||
- libgl=1.7.0=ha4b6fd6_2
|
||||
- libglib=2.82.2=h2ff4ddf_1
|
||||
- libglvnd=1.7.0=ha4b6fd6_2
|
||||
- libglx=1.7.0=ha4b6fd6_2
|
||||
- libgomp=14.2.0=h767d61c_2
|
||||
- libgpg-error=1.51=hbd13f7d_1
|
||||
- libhwloc=2.11.2=default_h0d58e46_1001
|
||||
- libiconv=1.18=h4ce23a2_1
|
||||
- libjpeg-turbo=3.0.0=hd590300_1
|
||||
- liblapack=3.9.0=16_linux64_mkl
|
||||
- liblapacke=3.9.0=16_linux64_mkl
|
||||
- liblzma=5.6.4=hb9d3cd8_0
|
||||
- libnetcdf=4.9.2=nompi_h5ddbaa4_116
|
||||
- libnghttp2=1.64.0=h161d5f1_0
|
||||
- libnpp=11.8.0.86=0
|
||||
- libnsl=2.0.1=hd590300_0
|
||||
- libntlm=1.8=hb9d3cd8_0
|
||||
- libnvjpeg=11.9.0.86=0
|
||||
- libogg=1.3.5=h4ab18f5_0
|
||||
- libopenvino=2025.0.0=hdc3f47d_3
|
||||
- libopenvino-auto-batch-plugin=2025.0.0=h4d9b6c2_3
|
||||
- libopenvino-auto-plugin=2025.0.0=h4d9b6c2_3
|
||||
- libopenvino-hetero-plugin=2025.0.0=h981d57b_3
|
||||
- libopenvino-intel-cpu-plugin=2025.0.0=hdc3f47d_3
|
||||
- libopenvino-intel-gpu-plugin=2025.0.0=hdc3f47d_3
|
||||
- libopenvino-intel-npu-plugin=2025.0.0=hdc3f47d_3
|
||||
- libopenvino-ir-frontend=2025.0.0=h981d57b_3
|
||||
- libopenvino-onnx-frontend=2025.0.0=h0e684df_3
|
||||
- libopenvino-paddle-frontend=2025.0.0=h0e684df_3
|
||||
- libopenvino-pytorch-frontend=2025.0.0=h5888daf_3
|
||||
- libopenvino-tensorflow-frontend=2025.0.0=h684f15b_3
|
||||
- libopenvino-tensorflow-lite-frontend=2025.0.0=h5888daf_3
|
||||
- libopus=1.3.1=h7f98852_1
|
||||
- libpciaccess=0.18=hd590300_0
|
||||
- libpng=1.6.47=h943b412_0
|
||||
- libpq=17.4=h27ae623_0
|
||||
- libprotobuf=5.29.3=h501fc15_0
|
||||
- librdkit=2024.09.6=h84b0b3c_0
|
||||
- librsvg=2.58.4=h49af25d_2
|
||||
- libsndfile=1.2.2=hc60ed4a_1
|
||||
- libsodium=1.0.20=h4ab18f5_0
|
||||
- libsqlite=3.49.1=hee588c1_1
|
||||
- libssh2=1.11.1=hf672d98_0
|
||||
- libstdcxx=14.2.0=h8f9b012_2
|
||||
- libstdcxx-ng=14.2.0=h4852527_2
|
||||
- libsystemd0=257.4=h4e0b6ca_1
|
||||
- libtiff=4.7.0=hd9ff511_3
|
||||
- libudev1=257.4=hbe16f8c_1
|
||||
- libunwind=1.6.2=h9c3ff4c_0
|
||||
- liburing=2.9=h84d6215_0
|
||||
- libusb=1.0.27=hb9d3cd8_101
|
||||
- libuuid=2.38.1=h0b41bf4_0
|
||||
- libva=2.22.0=h4f16b4b_2
|
||||
- libvorbis=1.3.7=h9c3ff4c_0
|
||||
- libvpx=1.14.1=hac33072_0
|
||||
- libwebp-base=1.5.0=h851e524_0
|
||||
- libxcb=1.17.0=h8a09558_0
|
||||
- libxcrypt=4.4.36=hd590300_1
|
||||
- libxkbcommon=1.8.1=hc4a0caf_0
|
||||
- libxml2=2.13.6=h8d12d68_0
|
||||
- libxslt=1.1.39=h76b75d6_0
|
||||
- libzip=1.11.2=h6991a6a_0
|
||||
- libzlib=1.3.1=hb9d3cd8_2
|
||||
- llvm-openmp=15.0.7=h0cdce71_0
|
||||
- lxml=5.3.1=py310h6ee67d5_0
|
||||
- lz4-c=1.10.0=h5888daf_1
|
||||
- markupsafe=3.0.2=py310h89163eb_1
|
||||
- matplotlib-base=3.10.1=py310h68603db_0
|
||||
- matplotlib-inline=0.1.7=pyhd8ed1ab_1
|
||||
- mda-xdrlib=0.2.0=pyhd8ed1ab_1
|
||||
- mdtraj=1.10.3=py310h4cdbd58_0
|
||||
- mendeleev=0.20.1=pymin39_ha308f57_3
|
||||
- mistune=3.1.2=pyhd8ed1ab_0
|
||||
- mkl=2022.1.0=h84fe81f_915
|
||||
- mkl-devel=2022.1.0=ha770c72_916
|
||||
- mkl-include=2022.1.0=h84fe81f_915
|
||||
- mpc=1.3.1=h24ddda3_1
|
||||
- mpfr=4.2.1=h90cbb55_3
|
||||
- mpg123=1.32.9=hc50e24c_0
|
||||
- mpmath=1.3.0=pyhd8ed1ab_1
|
||||
- multidict=6.1.0=py310h89163eb_2
|
||||
- munkres=1.1.4=pyh9f0ad1d_0
|
||||
- nbclient=0.10.2=pyhd8ed1ab_0
|
||||
- nbconvert-core=7.16.6=pyh29332c3_0
|
||||
- nbformat=5.10.4=pyhd8ed1ab_1
|
||||
- ncurses=6.5=h2d0b736_3
|
||||
- nest-asyncio=1.6.0=pyhd8ed1ab_1
|
||||
- netcdf-fortran=4.6.1=nompi_ha5d1325_108
|
||||
- networkx=3.4.2=pyh267e887_2
|
||||
- notebook=7.3.3=pyhd8ed1ab_0
|
||||
- notebook-shim=0.2.4=pyhd8ed1ab_1
|
||||
- numexpr=2.7.3=py310hb5077e9_1
|
||||
- ocl-icd=2.3.2=hb9d3cd8_2
|
||||
- ocl-icd-system=1.0.0=1
|
||||
- opencl-headers=2024.10.24=h5888daf_0
|
||||
- openff-amber-ff-ports=0.0.4=pyhca7485f_0
|
||||
- openff-forcefields=2024.09.0=pyhff2d567_0
|
||||
- openff-interchange=0.4.2=pyhd8ed1ab_2
|
||||
- openff-interchange-base=0.4.2=pyhd8ed1ab_2
|
||||
- openff-toolkit=0.16.8=pyhd8ed1ab_2
|
||||
- openff-toolkit-base=0.16.8=pyhd8ed1ab_2
|
||||
- openff-units=0.3.0=pyhd8ed1ab_1
|
||||
- openff-utilities=0.1.15=pyhd8ed1ab_0
|
||||
- openh264=2.6.0=hc22cd8d_0
|
||||
- openjpeg=2.5.3=h5fbd93e_0
|
||||
- openldap=2.6.9=he970967_0
|
||||
- openmm=8.2.0=py310h30bdd6a_2
|
||||
- openmmforcefields=0.14.2=pyhd8ed1ab_0
|
||||
- openssl=3.4.1=h7b32b05_0
|
||||
- overrides=7.7.0=pyhd8ed1ab_1
|
||||
- packaging=24.2=pyhd8ed1ab_2
|
||||
- panedr=0.8.0=pyhd8ed1ab_1
|
||||
- pango=1.56.2=h861ebed_0
|
||||
- parmed=4.3.0=py310h78e4988_1
|
||||
- parso=0.8.4=pyhd8ed1ab_1
|
||||
- pcre2=10.44=hba22ea6_2
|
||||
- pdbfixer=1.11=pyhd8ed1ab_0
|
||||
- perl=5.32.1=7_hd590300_perl5
|
||||
- pexpect=4.9.0=pyhd8ed1ab_1
|
||||
- pickleshare=0.7.5=pyhd8ed1ab_1004
|
||||
- pillow=11.1.0=py310h7e6dc6c_0
|
||||
- pint=0.24.4=pyhd8ed1ab_1
|
||||
- pip=25.0.1=pyh8b19718_0
|
||||
- pixman=0.44.2=h29eaf8c_0
|
||||
- pkgutil-resolve-name=1.3.10=pyhd8ed1ab_2
|
||||
- platformdirs=4.3.6=pyhd8ed1ab_1
|
||||
- prometheus_client=0.21.1=pyhd8ed1ab_0
|
||||
- prompt-toolkit=3.0.50=pyha770c72_0
|
||||
- psutil=7.0.0=py310ha75aee5_0
|
||||
- pthread-stubs=0.4=hb9d3cd8_1002
|
||||
- ptyprocess=0.7.0=pyhd8ed1ab_1
|
||||
- pugixml=1.15=h3f63f65_0
|
||||
- pulseaudio-client=17.0=hb77b528_0
|
||||
- pure_eval=0.2.3=pyhd8ed1ab_1
|
||||
- py-cpuinfo=9.0.0=pyhd8ed1ab_1
|
||||
- pycairo=1.27.0=py310h25ff670_0
|
||||
- pycparser=2.22=pyh29332c3_1
|
||||
- pydantic=2.10.6=pyh3cfb1c2_0
|
||||
- pydantic-core=2.27.2=py310h505e2c1_0
|
||||
- pyedr=0.8.0=pyhd8ed1ab_1
|
||||
- pyfiglet=0.8.post1=py_0
|
||||
- pyg=2.5.2=py310_torch_2.2.0_cu118
|
||||
- pygments=2.19.1=pyhd8ed1ab_0
|
||||
- pyparsing=3.2.1=pyhd8ed1ab_0
|
||||
- pysocks=1.7.1=pyha55dd90_7
|
||||
- pytables=3.10.1=py310h431dcdc_4
|
||||
- python=3.10.16=he725a3c_1_cpython
|
||||
- python-constraint=1.4.0=pyhff2d567_1
|
||||
- python-dateutil=2.9.0.post0=pyhff2d567_1
|
||||
- python-fastjsonschema=2.21.1=pyhd8ed1ab_0
|
||||
- python-tzdata=2025.1=pyhd8ed1ab_0
|
||||
- python_abi=3.10=5_cp310
|
||||
- pytorch=2.2.1=py3.10_cuda11.8_cudnn8.7.0_0
|
||||
- pytorch-cuda=11.8=h7e8668a_6
|
||||
- pytorch-mutex=1.0=cuda
|
||||
- pytorch-scatter=2.1.2=py310_torch_2.2.0_cu118
|
||||
- pytz=2025.1=pyhd8ed1ab_0
|
||||
- pyyaml=6.0.2=py310h89163eb_2
|
||||
- pyzmq=26.3.0=py310h71f11fc_0
|
||||
- qhull=2020.2=h434a139_5
|
||||
- rdkit=2024.09.6=py310hcd13295_0
|
||||
- readline=8.2=h8c095d6_2
|
||||
- referencing=0.36.2=pyh29332c3_0
|
||||
- reportlab=4.3.1=py310ha75aee5_0
|
||||
- requests=2.32.3=pyhd8ed1ab_1
|
||||
- rfc3339-validator=0.1.4=pyhd8ed1ab_1
|
||||
- rfc3986-validator=0.1.1=pyh9f0ad1d_0
|
||||
- rlpycairo=0.2.0=pyhd8ed1ab_0
|
||||
- rpds-py=0.23.1=py310hc1293b2_0
|
||||
- scikit-learn=1.6.1=py310h27f47ee_0
|
||||
- scipy=1.15.2=py310h1d65ade_0
|
||||
- sdl2=2.32.50=h9b8e6db_1
|
||||
- sdl3=3.2.8=h3083f51_0
|
||||
- send2trash=1.8.3=pyh0d859eb_1
|
||||
- setuptools=75.8.2=pyhff2d567_0
|
||||
- six=1.17.0=pyhd8ed1ab_0
|
||||
- smirnoff99frosst=1.1.0=pyh44b312d_0
|
||||
- snappy=1.2.1=h8bd8927_1
|
||||
- sniffio=1.3.1=pyhd8ed1ab_1
|
||||
- sqlalchemy=2.0.39=py310ha75aee5_1
|
||||
- stack_data=0.6.3=pyhd8ed1ab_1
|
||||
- svt-av1=3.0.1=h5888daf_0
|
||||
- sympy=1.13.3=pyh2585a3b_105
|
||||
- sysroot_linux-64=2.17=h0157908_18
|
||||
- tbb=2021.13.0=hceb3a55_1
|
||||
- terminado=0.18.1=pyh0d859eb_0
|
||||
- threadpoolctl=3.6.0=pyhecae5ae_0
|
||||
- tinycss2=1.4.0=pyhd8ed1ab_0
|
||||
- tinydb=4.8.2=pyhd8ed1ab_1
|
||||
- tk=8.6.13=noxft_h4845f30_101
|
||||
- tomli=2.2.1=pyhd8ed1ab_1
|
||||
- torchaudio=2.2.1=py310_cu118
|
||||
- torchtriton=2.2.0=py310
|
||||
- torchvision=0.17.1=py310_cu118
|
||||
- tornado=6.4.2=py310ha75aee5_0
|
||||
- tqdm=4.67.1=pyhd8ed1ab_1
|
||||
- traitlets=5.14.3=pyhd8ed1ab_1
|
||||
- types-python-dateutil=2.9.0.20241206=pyhd8ed1ab_0
|
||||
- typing-extensions=4.12.2=hd8ed1ab_1
|
||||
- typing_extensions=4.12.2=pyha770c72_1
|
||||
- typing_utils=0.1.0=pyhd8ed1ab_1
|
||||
- tzdata=2025a=h78e105d_0
|
||||
- unicodedata2=16.0.0=py310ha75aee5_0
|
||||
- uri-template=1.3.0=pyhd8ed1ab_1
|
||||
- urllib3=2.3.0=pyhd8ed1ab_0
|
||||
- validators=0.34.0=pyhd8ed1ab_1
|
||||
- wayland=1.23.1=h3e06ad9_0
|
||||
- wayland-protocols=1.41=hd8ed1ab_0
|
||||
- wcwidth=0.2.13=pyhd8ed1ab_1
|
||||
- webcolors=24.11.1=pyhd8ed1ab_0
|
||||
- webencodings=0.5.1=pyhd8ed1ab_3
|
||||
- websocket-client=1.8.0=pyhd8ed1ab_1
|
||||
- wheel=0.45.1=pyhd8ed1ab_1
|
||||
- wrapt=1.17.2=py310ha75aee5_0
|
||||
- x264=1!164.3095=h166bdaf_2
|
||||
- x265=3.5=h924138e_3
|
||||
- xkeyboard-config=2.43=hb9d3cd8_0
|
||||
- xmltodict=0.14.2=pyhd8ed1ab_1
|
||||
- xorg-libice=1.1.2=hb9d3cd8_0
|
||||
- xorg-libsm=1.2.6=he73a12e_0
|
||||
- xorg-libx11=1.8.12=h4f16b4b_0
|
||||
- xorg-libxau=1.0.12=hb9d3cd8_0
|
||||
- xorg-libxcursor=1.2.3=hb9d3cd8_0
|
||||
- xorg-libxdmcp=1.1.5=hb9d3cd8_0
|
||||
- xorg-libxext=1.3.6=hb9d3cd8_0
|
||||
- xorg-libxfixes=6.0.1=hb9d3cd8_0
|
||||
- xorg-libxrender=0.9.12=hb9d3cd8_0
|
||||
- xorg-libxscrnsaver=1.2.4=hb9d3cd8_0
|
||||
- xorg-libxt=1.3.1=hb9d3cd8_0
|
||||
- yaml=0.2.5=h7f98852_2
|
||||
- yarl=1.18.3=py310h89163eb_1
|
||||
- zeromq=4.3.5=h3b0a872_7
|
||||
- zipp=3.21.0=pyhd8ed1ab_1
|
||||
- zlib=1.3.1=hb9d3cd8_2
|
||||
- zlib-ng=2.2.4=h7955e40_0
|
||||
- zstandard=0.23.0=py310ha75aee5_1
|
||||
- zstd=1.5.7=hb8e6e7a_1
|
||||
- pip:
|
||||
- absl-py==2.1.0
|
||||
- alembic==1.15.1
|
||||
- amberutils==21.0
|
||||
- antlr4-python3-runtime==4.9.3
|
||||
- autopage==0.5.2
|
||||
- beartype==0.20.0
|
||||
- biopandas==0.5.1
|
||||
- biopython==1.79
|
||||
- biotite==1.1.0
|
||||
- biotraj==1.2.2
|
||||
- cfgv==3.4.0
|
||||
- cftime==1.6.4.post1
|
||||
- click==8.1.8
|
||||
- cliff==4.9.1
|
||||
- cloudpathlib==0.21.0
|
||||
- cmaes==0.11.1
|
||||
- cmd2==2.5.11
|
||||
- colorlog==6.9.0
|
||||
- distlib==0.3.9
|
||||
- git+https://github.com/NVIDIA/dllogger.git@0540a43971f4a8a16693a9de9de73c1072020769
|
||||
- dm-tree==0.1.9
|
||||
- docker-pycreds==0.4.0
|
||||
- duckdb==1.2.1
|
||||
- edgembar==3.0
|
||||
- einops==0.8.1
|
||||
- eval-type-backport==0.2.2
|
||||
- executing==2.2.0
|
||||
- fair-esm==2.0.0
|
||||
- fairscale==0.4.13
|
||||
- fastcore==1.7.29
|
||||
- future==1.0.0
|
||||
- fvcore==0.1.5.post20221221
|
||||
- gcsfs==2025.3.0
|
||||
- gemmi==0.7.0
|
||||
- gitdb==4.0.12
|
||||
- gitpython==3.1.44
|
||||
- google-api-core==2.24.2
|
||||
- google-auth==2.38.0
|
||||
- google-auth-oauthlib==1.2.1
|
||||
- google-cloud-core==2.4.3
|
||||
- google-cloud-storage==3.1.0
|
||||
- google-crc32c==1.6.0
|
||||
- google-resumable-media==2.7.2
|
||||
- googleapis-common-protos==1.69.1
|
||||
- hydra-colorlog==1.2.0
|
||||
- hydra-core==1.3.2
|
||||
- hydra-optuna-sweeper==1.2.0
|
||||
- identify==2.6.9
|
||||
- iniconfig==2.0.0
|
||||
- iopath==0.1.10
|
||||
- ipython-genutils==0.2.0
|
||||
- ipywidgets==7.8.5
|
||||
- jupyterlab-widgets==1.1.11
|
||||
- lightning==2.5.0.post0
|
||||
- lightning-utilities==0.14.1
|
||||
- looseversion==1.1.2
|
||||
- lovely-numpy==0.2.13
|
||||
- lovely-tensors==0.1.18
|
||||
- mako==1.3.9
|
||||
- markdown-it-py==3.0.0
|
||||
- mdurl==0.1.2
|
||||
- ml-collections==1.0.0
|
||||
- mmcif==0.91.0
|
||||
- mmpbsa-py==16.0
|
||||
- mmtf-python==1.1.3
|
||||
- mols2grid==2.0.0
|
||||
- msgpack==1.1.0
|
||||
- msgpack-numpy==0.4.8
|
||||
- narwhals==1.30.0
|
||||
- netcdf4==1.7.2
|
||||
- nodeenv==1.9.1
|
||||
- numpy==1.26.4
|
||||
- oauthlib==3.2.2
|
||||
- omegaconf==2.3.0
|
||||
- git+https://github.com/amorehead/openfold.git@fe1275099639bf7e617e09ef24d6af778647dd64
|
||||
- optuna==2.10.1
|
||||
- packmol-memgen==2025.1.29
|
||||
- pandas==2.2.3
|
||||
- pandocfilters==1.5.1
|
||||
- pbr==6.1.1
|
||||
- pdb4amber==22.0
|
||||
- plinder==0.2.24
|
||||
- plotly==6.0.0
|
||||
- pluggy==1.5.0
|
||||
- portalocker==3.1.1
|
||||
- posebusters==0.2.13
|
||||
- git+https://git@github.com/zrqiao/power_spherical.git@290b1630c5f84e3bb0d61711046edcf6e47200d4
|
||||
- pre-commit==4.1.0
|
||||
- prettytable==3.15.1
|
||||
# - prody==2.4.1 # NOTE: we must `pip` install Prody to skip its NumPy dependency
|
||||
- propcache==0.3.0
|
||||
- proto-plus==1.26.1
|
||||
- protobuf==5.29.3
|
||||
- pyarrow==19.0.1
|
||||
- pyasn1==0.6.1
|
||||
- pyasn1-modules==0.4.1
|
||||
- pymsmt==22.0
|
||||
- pyperclip==1.9.0
|
||||
- pytest==8.3.5
|
||||
- python-dotenv==1.0.1
|
||||
- python-json-logger==3.3.0
|
||||
- pytorch-lightning==2.5.0.post0
|
||||
- git+https://github.com/facebookresearch/pytorch3d.git@3da7703c5ac10039645966deddffe8db52eab8c5
|
||||
- pytraj==2.0.6
|
||||
- requests-oauthlib==2.0.0
|
||||
- rich==13.9.4
|
||||
- rootutils==1.0.7
|
||||
- rsa==4.9
|
||||
- sander==22.0
|
||||
- seaborn==0.13.2
|
||||
- sentry-sdk==2.22.0
|
||||
- setproctitle==1.3.5
|
||||
- smmap==5.0.2
|
||||
- soupsieve==2.6
|
||||
- stevedore==5.4.1
|
||||
- tabulate==0.9.0
|
||||
- termcolor==2.5.0
|
||||
- torchmetrics==1.6.3
|
||||
- virtualenv==20.29.3
|
||||
- wandb==0.19.8
|
||||
- widgetsnbextension==3.6.10
|
||||
- yacs==0.1.8
|
||||
Reference in New Issue
Block a user