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Update PoseBench env
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@amorehead
amorehead committed Jan 12, 2025
1 parent 8343970 commit 41196dc
Showing 1 changed file with 45 additions and 17 deletions.
62 changes: 45 additions & 17 deletions environments/posebench_environment.yaml
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Original file line number Diff line number Diff line change
Expand Up @@ -8,12 +8,13 @@ channels:
dependencies:
- _libgcc_mutex=0.1=conda_forge
- _openmp_mutex=4.5=2_kmp_llvm
- ambertools=22.5=py310hd182041_0
- alsa-lib=1.1.5=h516909a_1002
- ambertools=23.3=py310h05519df_6
- annotated-types=0.7.0=pyhd8ed1ab_0
- antlr-python-runtime=4.9.3=pyhd8ed1ab_1
- argon2-cffi=23.1.0=pyhd8ed1ab_0
- argon2-cffi-bindings=21.2.0=py310h2372a71_4
- arpack=3.7.0=hdefa2d7_2
- arpack=3.8.0=nompi_h0baa96a_101
- arrow=1.3.0=pyhd8ed1ab_0
- astunparse=1.6.3=pyhd8ed1ab_0
- async-lru=2.0.4=pyhd8ed1ab_0
Expand All @@ -27,8 +28,8 @@ dependencies:
- blas-devel=3.9.0=16_linux64_mkl
- bleach=6.1.0=pyhd8ed1ab_0
- blosc=1.21.5=hc2324a3_1
- boost=1.78.0=py310hcb52e73_5
- boost-cpp=1.78.0=h2c5509c_4
- boost=1.82.0=h17c5347_6
- boost-cpp=1.82.0=h44aadfe_6
- brotli=1.1.0=hd590300_1
- brotli-bin=1.1.0=hd590300_1
- brotli-python=1.1.0=py310hc6cd4ac_1
Expand All @@ -37,12 +38,12 @@ dependencies:
- c-ares=1.28.1=hd590300_0
- c-blosc2=2.14.4=hb4ffafa_1
- c-compiler=1.5.0=h166bdaf_0
- ca-certificates=2024.6.2=hbcca054_0
- ca-certificates=2024.12.14=hbcca054_0
- cached-property=1.5.2=hd8ed1ab_1
- cached_property=1.5.2=pyha770c72_1
- cachetools=5.3.3=pyhd8ed1ab_0
- cairo=1.18.0=h3faef2a_0
- certifi=2024.2.2=pyhd8ed1ab_0
- certifi=2024.12.14=pyhd8ed1ab_0
- cffi=1.16.0=py310h2fee648_0
- charset-normalizer=3.3.2=pyhd8ed1ab_0
- colorama=0.4.6=pyhd8ed1ab_0
Expand Down Expand Up @@ -78,6 +79,7 @@ dependencies:
- gcc=10.4.0=hb92f740_13
- gcc_impl_linux-64=10.4.0=h5231bdf_19
- gcc_linux-64=10.4.0=h9215b83_13
- giflib=5.2.2=hd590300_0
- gmp=6.3.0=h59595ed_1
- gmpy2=2.1.5=py310hc7909c9_1
- gnutls=3.6.13=h85f3911_1
Expand All @@ -101,6 +103,7 @@ dependencies:
- ipywidgets=8.1.3=pyhd8ed1ab_0
- isoduration=20.11.0=pyhd8ed1ab_0
- jinja2=3.1.4=pyhd8ed1ab_0
- joblib=1.4.2=pyhd8ed1ab_1
- jpeg=9e=h166bdaf_2
- json5=0.9.25=pyhd8ed1ab_0
- jsonpointer=2.4=py310hff52083_3
Expand All @@ -127,6 +130,11 @@ dependencies:
- lerc=3.0=h9c3ff4c_0
- libaec=1.1.3=h59595ed_0
- libblas=3.9.0=16_linux64_mkl
- libboost=1.82.0=h6fcfa73_6
- libboost-devel=1.82.0=h00ab1b0_6
- libboost-headers=1.82.0=ha770c72_6
- libboost-python=1.82.0=py310hcb52e73_6
- libboost-python-devel=1.82.0=py310h17c5347_6
- libbrotlicommon=1.1.0=hd590300_1
- libbrotlidec=1.1.0=hd590300_1
- libbrotlienc=1.1.0=hd590300_1
Expand All @@ -143,12 +151,13 @@ dependencies:
- libev=4.33=hd590300_2
- libexpat=2.6.2=h59595ed_0
- libffi=3.4.2=h7f98852_5
- libgcc=14.2.0=h77fa898_1
- libgcc-devel_linux-64=10.4.0=hd38fd1e_19
- libgcc-ng=13.1.0=he5830b7_0
- libgcc-ng=14.2.0=h69a702a_1
- libgfortran-ng=13.2.0=h69a702a_0
- libgfortran5=13.2.0=ha4646dd_0
- libglib=2.80.2=hf974151_0
- libgomp=13.1.0=he5830b7_0
- libgomp=14.2.0=h77fa898_1
- libhwloc=2.10.0=default_h5622ce7_1001
- libiconv=1.17=hd590300_2
- libjpeg-turbo=2.0.0=h9bf148f_0
Expand All @@ -164,6 +173,7 @@ dependencies:
- libsodium=1.0.18=h36c2ea0_1
- libsqlite=3.45.3=h2797004_0
- libssh2=1.11.0=h0841786_0
- libstdcxx=14.2.0=hc0a3c3a_1
- libstdcxx-devel_linux-64=10.4.0=hd38fd1e_19
- libstdcxx-ng=13.2.0=hc0a3c3a_7
- libtiff=4.3.0=h0fcbabc_4
Expand Down Expand Up @@ -198,6 +208,7 @@ dependencies:
- notebook=7.2.0=pyhd8ed1ab_0
- notebook-shim=0.2.4=pyhd8ed1ab_0
- numexpr=2.7.3=py310hb5077e9_1
- numpy=1.26.4=py310hb13e2d6_0
- ocl-icd=2.3.2=hd590300_1
- ocl-icd-system=1.0.0=1
- olefile=0.47=pyhd8ed1ab_0
Expand All @@ -216,8 +227,8 @@ dependencies:
- openjdk=11.0.1=h600c080_1018
- openjpeg=2.5.0=h7d73246_0
- openmm=8.1.1=py310h43b6314_1
- openmmforcefields=0.12.0=pyhd8ed1ab_0
- openssl=3.3.0=h4ab18f5_3
- openmmforcefields=0.14.1=pyhd8ed1ab_0
- openssl=3.4.0=hb9d3cd8_0
- overrides=7.7.0=pyhd8ed1ab_0
- packmol=20.14.4=ha36c22a_0
- pandocfilters=1.5.0=pyhd8ed1ab_0
Expand All @@ -229,7 +240,6 @@ dependencies:
- perl=5.32.1=7_hd590300_perl5
- pexpect=4.9.0=pyhd8ed1ab_0
- pickleshare=0.7.5=py_1003
- pillow=8.4.0=py310h07f4688_0
- pint=0.23=pyhd8ed1ab_1
- pip=24.0=pyhd8ed1ab_0
- pixman=0.43.2=h59595ed_0
Expand Down Expand Up @@ -265,7 +275,6 @@ dependencies:
- reduce=4.14=py310h8ea774a_3
- referencing=0.35.1=pyhd8ed1ab_0
- reportlab=3.5.68=py310h94fcab3_1
- requests=2.32.2=pyhd8ed1ab_0
- rfc3339-validator=0.1.4=pyhd8ed1ab_0
- rfc3986-validator=0.1.1=pyh9f0ad1d_0
- rpds-py=0.18.1=py310he421c4c_0
Expand Down Expand Up @@ -298,23 +307,29 @@ dependencies:
- unicodedata2=15.1.0=py310h2372a71_0
- uri-template=1.3.0=pyhd8ed1ab_0
- validators=0.28.3=pyhd8ed1ab_0
- vina=1.2.5=py310hc3c6c4f_1
- vina=1.2.5=py310hf71b8c6_5
- wcwidth=0.2.13=pyhd8ed1ab_0
- webcolors=1.13=pyhd8ed1ab_0
- webencodings=0.5.1=pyhd8ed1ab_2
- websocket-client=1.8.0=pyhd8ed1ab_0
- wheel=0.43.0=pyhd8ed1ab_1
- widgetsnbextension=4.0.11=pyhd8ed1ab_0
- xmltodict=0.13.0=pyhd8ed1ab_0
- xorg-fixesproto=5.0=h7f98852_1002
- xorg-inputproto=2.3.2=h7f98852_1002
- xorg-kbproto=1.0.7=h7f98852_1002
- xorg-libice=1.1.1=hd590300_0
- xorg-libsm=1.2.4=h7391055_0
- xorg-libx11=1.8.9=h8ee46fc_0
- xorg-libxau=1.0.11=hd590300_0
- xorg-libxdmcp=1.1.3=h7f98852_0
- xorg-libxext=1.3.4=h0b41bf4_2
- xorg-libxfixes=5.0.3=h7f98852_1004
- xorg-libxi=1.7.10=h4bc722e_1
- xorg-libxrender=0.9.11=hd590300_0
- xorg-libxt=1.3.0=hd590300_1
- xorg-libxtst=1.2.5=h4bc722e_0
- xorg-recordproto=1.14.2=h7f98852_1002
- xorg-renderproto=0.11.1=h7f98852_1002
- xorg-xextproto=7.3.0=h0b41bf4_1003
- xorg-xproto=7.0.31=h7f98852_1007
Expand All @@ -324,14 +339,14 @@ dependencies:
- zipp=3.17.0=pyhd8ed1ab_0
- zlib=1.2.13=h4ab18f5_6
- zlib-ng=2.0.7=h0b41bf4_0
- zstandard=0.18.0=py310h5764c6d_1
- zstd=1.5.6=ha6fb4c9_0
- pip:
- absl-py==1.4.0
- aiohttp==3.8.5
- aiosignal==1.3.1
- alabaster==0.7.16
- alembic==1.11.3
- amberlite==22.0
- amberutils==21.0
- anyio==3.7.1
- appdirs==1.4.4
Expand Down Expand Up @@ -363,6 +378,7 @@ dependencies:
- docker-pycreds==0.4.0
- docutils==0.20.1
- easydev==0.12.1
- edgembar==0.2
- einops==0.6.1
- executing==1.2.0
- fair-esm==2.0.0
Expand Down Expand Up @@ -392,7 +408,6 @@ dependencies:
- jaxtyping==0.2.21
- jedi==0.19.0
- jmespath==1.0.1
- joblib==1.4.2
- lightning==2.1.3
- lightning-cloud==0.5.61
- lightning-utilities==0.10.0
Expand All @@ -404,6 +419,7 @@ dependencies:
- m2r2==0.3.3.post2
- mako==1.2.4
- markdown-it-py==3.0.0
- mdahole2==0.5.0
- mdanalysis==2.7.0
- mdurl==0.1.2
- git+https://github.com/amorehead/Meeko.git@patch-1
Expand All @@ -424,21 +440,22 @@ dependencies:
- nglview==3.0.8
- ninja==1.11.1
- nodeenv==1.9.0
- numpy==1.26.4
- git+https://github.com/amorehead/openfold.git@4ef71646ed031f69716097a9352d21778369136d
- opt-einsum==3.3.0
- opt-einsum-fx==0.1.4
- optuna==2.10.1
- packaging==21.3
- packmol-memgen==1.2.3rc0
- packmol-memgen==2023.2.24
- pandas==1.5.0
- pandoc==2.3
- pastel==0.2.1
- pathsimanalysis==1.2.0
- pathtools==0.1.2
- pbr==5.11.1
- pdb-tools==2.5.0
- pdb4amber==22.0
- pdbeccdutils==0.8.6
- pillow==10.4.0
- plotly==5.17.0
- plumbum==1.8.3
- ply==3.11
Expand All @@ -457,6 +474,7 @@ dependencies:
- pydantic==1.10.15
- pydocstyle==6.3.0
- pyjwt==2.8.0
- pymsmt==22.0
- pypdb==2.3
- pyperclip==1.8.2
- python-dotenv==1.0.0
Expand All @@ -466,6 +484,7 @@ dependencies:
- pytz==2022.4
- pyzmq==25.1.1
- regex==2023.10.3
- requests==2.32.3
- requests-cache==1.1.0
- rich==13.7.1
- rich-click==1.6.1
Expand All @@ -481,6 +500,14 @@ dependencies:
- setproctitle==1.3.2
- smmap==5.0.0
- snowballstemmer==2.2.0
- sphinx==7.3.7
- sphinx-basic-ng==1.0.0b2
- sphinxcontrib-applehelp==2.0.0
- sphinxcontrib-devhelp==2.0.0
- sphinxcontrib-htmlhelp==2.1.0
- sphinxcontrib-jsmath==1.0.1
- sphinxcontrib-qthelp==2.0.0
- sphinxcontrib-serializinghtml==2.0.0
- spyrmsd==0.5.2
- sqlalchemy==2.0.20
- starlette==0.27.0
Expand All @@ -501,6 +528,7 @@ dependencies:
- uvicorn==0.30.0
- virtualenv==20.26.2
- wandb==0.16.2
- waterdynamics==1.2.0
- watermark==2.4.3
- wget==3.2
- wrapt==1.15.0
Expand Down

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