name: omsf-linux-64
channels:
- conda-forge
- nodefaults
dependencies:
- _openmp_mutex ==4.5 7_kmp_llvm
- ambertools ==24.8 cuda_None_nompi_py313hb0f039c_101
- aria2 ==1.37.0 h4e1c2bf_3
- arpack ==3.9.1 nompi_hf03ea27_102
- at-spi2-atk ==2.38.0 h0630a04_3
- at-spi2-core ==2.40.3 h0630a04_0
- atk-1.0 ==2.38.0 h04ea711_2
- aws-c-auth ==0.10.1 ha62d5e7_3
- aws-c-cal ==0.9.13 h2c9d079_1
- aws-c-common ==0.12.6 hb03c661_0
- aws-c-compression ==0.3.2 h8b1a151_0
- aws-c-event-stream ==0.7.0 h9b893ba_0
- aws-c-http ==0.10.13 h4bacb7b_0
- aws-c-io ==0.26.3 h692f434_1
- aws-c-mqtt ==0.15.2 hc1936db_2
- aws-c-s3 ==0.12.2 he6ee468_1
- aws-c-sdkutils ==0.2.4 h8b1a151_4
- aws-checksums ==0.2.10 h8b1a151_0
- awscli ==2.35.4 py313hd5f5364_0
- awscrt ==0.32.2 py313h15cf2f3_0
- backports.zstd ==1.6.0 py313h18e8e13_0
- biotite ==1.6.0 py313h92f78c6_1
- biotraj ==1.2.2 py313h5d5ffb9_2
- blosc ==1.21.6 he440d0b_1
- brotli ==1.2.0 hed03a55_1
- brotli-bin ==1.2.0 hb03c661_1
- brotli-python ==1.2.0 py313hf159716_1
- bzip2 ==1.0.8 hda65f42_9
- c-ares ==1.34.6 hb03c661_0
- c-blosc2 ==3.1.3 hc31b594_0
- cairo ==1.18.4 h3394656_0
- cffi ==2.0.0 py313hf46b229_1
- cftime ==1.6.5 py313h29aa505_1
- contourpy ==1.3.3 py313hc8edb43_4
- cuda-bindings ==12.9.0 py313hda822dd_1
- cuda-crt-tools ==12.9.86 ha770c72_2
- cuda-cudart ==12.9.79 h5888daf_0
- cuda-cudart-dev ==12.9.79 h5888daf_0
- cuda-cudart-static ==12.9.79 h5888daf_0
- cuda-cuobjdump ==12.9.82 hffce074_1
- cuda-cupti ==12.9.79 h676940d_1
- cuda-cupti-dev ==12.9.79 h676940d_1
- cuda-nvcc-impl ==12.9.86 h85509e4_2
- cuda-nvcc-tools ==12.9.86 he02047a_2
- cuda-nvdisasm ==12.9.88 hffce074_1
- cuda-nvrtc ==12.9.86 hecca717_1
- cuda-nvtx ==12.9.79 hecca717_1
- cuda-nvvm-impl ==12.9.86 h4bc722e_2
- cuda-nvvm-tools ==12.9.86 h4bc722e_2
- cudnn ==9.10.2.21 hbcb9cd8_0
- cutlass ==3.9.2 h14340ca_0
- cyrus-sasl ==2.1.28 hd9c7081_0
- dbus ==1.16.2 h24cb091_1
- deepspeed ==0.18.0 cuda129_py313_h637229b_0
- docutils ==0.18.1 py313h78bf25f_1
- epoxy ==1.5.10 hb03c661_2
- fftw ==3.3.11 nompi_h3b011a4_100
- fontconfig ==2.18.1 h27c8c51_0
- fonttools ==4.63.0 py313h3dea7bd_0
- freetype ==2.14.3 ha770c72_0
- fribidi ==1.0.16 hb03c661_0
- gdk-pixbuf ==2.44.6 h2b0a6b4_0
- gemmi ==0.7.5 py313hbaa079c_0
- glib-tools ==2.88.1 hee1de02_2
- gmp ==6.3.0 hac33072_2
- gmpy2 ==2.3.0 py313h86d8783_1
- graphite2 ==1.3.15 hecca717_0
- graphviz ==13.1.2 h87b6fe6_0
- greenlet ==3.5.1 py313h5d5ffb9_0
- gsd ==5.0.1 h7c397b8_1
- gtk3 ==3.24.43 h0c6a113_5
- gts ==0.7.6 h977cf35_4
- h5py ==3.16.0 nompi_py313h253c126_102
- harfbuzz ==11.5.1 h15599e2_0
- hdf4 ==4.2.15 h2a13503_7
- hdf5 ==1.14.6 nompi_h19486de_106
- hicolor-icon-theme ==0.17 ha770c72_3
- icu ==75.1 he02047a_0
- jaxlib ==0.9.0 cuda129_py313h4e43a44_200
- jq ==1.8.1 h73b1eb8_0
- keyutils ==1.6.3 hb9d3cd8_0
- kiwisolver ==1.5.0 py313hc8edb43_0
- krb5 ==1.21.3 h659f571_0
- lcms2 ==2.19.1 h0c24ade_1
- ld_impl_linux-64 ==2.45.1 default_hbd61a6d_102
- lerc ==4.1.0 hdb68285_0
- libabseil ==20250512.1 cxx17_hba17884_0
- libaec ==1.1.5 h088129d_0
- libaio ==0.3.113 h166bdaf_0
- libblas ==3.11.0 6_h5875eb1_mkl
- libboost ==1.86.0 hed09d94_4
- libboost-python ==1.86.0 py313hfaae9d9_5
- libbrotlicommon ==1.2.0 hb03c661_1
- libbrotlidec ==1.2.0 hb03c661_1
- libbrotlienc ==1.2.0 hb03c661_1
- libcap ==2.78 hd0affe5_0
- libcblas ==3.11.0 6_hfef963f_mkl
- libcublas ==12.9.2.10 h676940d_0
- libcublas-dev ==12.9.2.10 h676940d_0
- libcudnn ==9.10.2.21 hf7e9902_0
- libcudnn-dev ==9.10.2.21 h58dd1b1_0
- libcudss ==0.7.1.4 h58dd1b1_1
- libcufft ==11.4.1.4 hecca717_1
- libcufft-dev ==11.4.1.4 hecca717_1
- libcufile ==1.14.1.1 hbc026e6_1
- libcups ==2.3.3 hb8b1518_5
- libcurand ==10.3.10.19 h676940d_1
- libcurand-dev ==10.3.10.19 h676940d_1
- libcurl ==8.18.0 h4e3cde8_0
- libcusolver ==11.7.5.82 h676940d_2
- libcusolver-dev ==11.7.5.82 h676940d_2
- libcusparse ==12.5.10.65 hecca717_2
- libcusparse-dev ==12.5.10.65 hecca717_2
- libdeflate ==1.25 h17f619e_0
- libdrm ==2.4.127 hb03c661_0
- libedit ==3.1.20250104 pl5321h7949ede_0
- libegl ==1.7.0 ha4b6fd6_3
- libegl-devel ==1.7.0 ha4b6fd6_3
- libev ==4.33 hd590300_2
- libexpat ==2.8.1 hecca717_1
- libffi ==3.5.2 h3435931_0
- libfreetype ==2.14.3 ha770c72_0
- libfreetype6 ==2.14.3 h73754d4_0
- libgcc ==15.2.0 he0feb66_19
- libgcc-ng ==15.2.0 h69a702a_19
- libgd ==2.3.3 h6f5c62b_11
- libgfortran ==15.2.0 h69a702a_19
- libgfortran5 ==15.2.0 h68bc16d_19
- libgl ==1.7.0 ha4b6fd6_3
- libgl-devel ==1.7.0 ha4b6fd6_3
- libglib ==2.88.1 h0d30a3d_2
- libglvnd ==1.7.0 ha4b6fd6_3
- libglx ==1.7.0 ha4b6fd6_3
- libglx-devel ==1.7.0 ha4b6fd6_3
- libgomp ==15.2.0 he0feb66_19
- libgrpc ==1.73.1 h3288cfb_1
- libhwloc ==2.12.1 default_h3d81e11_1000
- libiconv ==1.18 h3b78370_2
- libjpeg-turbo ==3.1.4.1 hb03c661_0
- liblapack ==3.11.0 6_h5e43f62_mkl
- liblzma ==5.8.3 hb03c661_0
- libmagma ==2.9.0 ha7672b3_6
- libmpdec ==4.0.0 hb03c661_1
- libnetcdf ==4.9.2 nompi_h21f7587_118
- libnghttp2 ==1.68.1 h877daf1_0
- libnl ==3.11.0 hb9d3cd8_0
- libntlm ==1.8 hb9d3cd8_0
- libnvjitlink ==12.9.86 hecca717_2
- libnvptxcompiler-dev ==12.9.86 ha770c72_2
- libpciaccess ==0.19 hb03c661_0
- libpng ==1.6.58 h421ea60_0
- libpq ==18.1 h5c52fec_2
- libprotobuf ==6.31.1 hfb7daa7_5
- librdkit ==2025.9.5 h3c5c181_0
- libre2-11 ==2025.11.5 h7b12aa8_0
- librsvg ==2.58.4 he92a37e_3
- libsqlite ==3.53.2 h0c1763c_0
- libssh2 ==1.11.1 hcf80075_0
- libstdcxx ==15.2.0 h934c35e_19
- libstdcxx-ng ==15.2.0 hdf11a46_19
- libsystemd0 ==257.13 h084b8d7_1
- libtiff ==4.7.1 h9d88235_1
- libtorch ==2.8.0 cuda129_mkl_hf53477d_302
- libudev1 ==257.13 h084b8d7_1
- libuuid ==2.42.1 h5347b49_0
- libuv ==1.52.1 h280c20c_0
- libwebp-base ==1.6.0 hd42ef1d_0
- libxcb ==1.17.0 h8a09558_0
- libxcrypt ==4.4.36 hd590300_1
- libxkbcommon ==1.11.0 he8b52b9_0
- libxml2 ==2.13.9 h04c0eec_0
- libxslt ==1.1.43 h7a3aeb2_0
- libzip ==1.11.2 h6991a6a_0
- libzlib ==1.3.2 h25fd6f3_2
- llvm-openmp ==22.1.7 h4922eb0_0
- llvmlite ==0.47.0 py313hdd307be_1
- lmdb ==0.9.35 h25c0377_0
- lxml ==6.0.2 py313h6b0e12e_0
- lz4-c ==1.10.0 h5888daf_1
- markupsafe ==3.0.3 py313h3dea7bd_1
- matplotlib-base ==3.10.9 py313h683a580_0
- mdanalysis ==2.10.0 py313h08cd8bf_1
- mdtraj ==1.11.1 np2py313h48ae260_1
- mkl ==2025.3.1 h0e700b2_12
- ml_dtypes ==0.5.4 np2py313h73dcb5b_1
- mpc ==1.4.0 he0a73b1_0
- mpfr ==4.2.2 he0a73b1_0
- msgpack-python ==1.1.2 py313h7037e92_1
- nccl ==2.30.7.1 h4d09622_0
- ncurses ==6.6 hdb14827_0
- netcdf-fortran ==4.6.2 nompi_h5aa5643_101
- netcdf4 ==1.7.2 nompi_py313ha67fc0a_103
- numba ==0.65.1 py313h5dce7c4_1
- numexpr ==2.14.1 mkl_py313hddce2c6_1
- numpy ==2.3.5 py313hf6604e3_1
- ocl-icd ==2.3.4 hb03c661_1
- ocl-icd-system ==1.0.0 1
- onemkl-license ==2025.3.1 hf2ce2f3_12
- oniguruma ==6.9.10 hb9d3cd8_0
- opencl-headers ==2025.6.13 hecca717_0
- openjpeg ==2.5.4 h55fea9a_0
- openldap ==2.6.10 he970967_0
- openmm ==8.4.0 py313h6d35a0d_2
- openssl ==3.6.3 h35e630c_0
- optree ==0.19.1 py313h7037e92_0
- pandas ==2.3.3 py313h08cd8bf_2
- pango ==1.56.4 hadf4263_0
- parmed ==4.3.1 py313hc4ed87d_1
- pcre2 ==10.47 haa7fec5_0
- perl ==5.32.1 7_hd590300_perl5
- pillow ==12.2.0 py313h80991f8_0
- pixman ==0.46.4 h54a6638_1
- protobuf ==6.31.1 py313h8c92afc_2
- psutil ==7.1.3 py313h54dd161_0
- pthread-stubs ==0.4 hb9d3cd8_1002
- pycairo ==1.29.0 py313h3f29d12_1
- pydantic-core ==2.33.2 py313h843e2db_1
- pygraphviz ==1.14 py313h45fd7b0_2
- pytables ==3.11.1 py313h0546747_3
- python ==3.13.14 h6add32d_100_cp313
- pytng ==0.3.4 py313h75f1e36_0
- pytorch ==2.8.0 cuda129_mkl_py313_h7947483_302
- pytorch-gpu ==2.8.0 cuda129_mkl_h43a4b0b_302
- pyyaml ==6.0.3 py313h3dea7bd_1
- qhull ==2020.2 h434a139_5
- rdkit ==2025.9.5 py313h66a1ddb_0
- rdma-core ==63.0 h192683f_1
- re2 ==2025.11.5 h5301d42_0
- readline ==8.3 h853b02a_0
- rocm-core ==7.0.2 h54a6638_0
- ruamel.yaml.clib ==0.2.15 py313h54dd161_1
- s2n ==1.7.2 hc5a330e_1
- scikit-learn ==1.9.0 np2py313h16d504d_0
- scipy ==1.17.1 py313h4b8bb8b_1
- sleef ==3.9.0 ha0421bc_0
- snappy ==1.2.2 h03e3b7b_1
- sqlalchemy ==2.0.51 py313h54dd161_0
- statsmodels ==0.14.6 py313h29aa505_0
- tbb ==2022.3.0 h8d10470_1
- tk ==8.6.13 noxft_h366c992_103
- triton ==3.4.0 cuda129py313h246eb7c_1
- wandb ==0.27.2 py313h843e2db_0
- wayland ==1.25.0 hd6090a7_0
- xkeyboard-config ==2.47 h280c20c_1
- xorg-libice ==1.1.2 hb9d3cd8_0
- xorg-libsm ==1.2.6 he73a12e_0
- xorg-libx11 ==1.8.13 he1eb515_0
- xorg-libxau ==1.0.12 hb03c661_1
- xorg-libxcomposite ==0.4.7 hb03c661_0
- xorg-libxcursor ==1.2.3 hb9d3cd8_0
- xorg-libxdamage ==1.1.6 hb9d3cd8_0
- xorg-libxdmcp ==1.1.5 hb03c661_1
- xorg-libxext ==1.3.7 hb03c661_0
- xorg-libxfixes ==6.0.2 hb03c661_0
- xorg-libxi ==1.8.3 hb03c661_0
- xorg-libxinerama ==1.1.6 hecca717_0
- xorg-libxrandr ==1.5.5 hb03c661_0
- xorg-libxrender ==0.9.12 hb9d3cd8_0
- xorg-libxt ==1.3.1 hb9d3cd8_0
- xorg-libxtst ==1.2.5 hb9d3cd8_3
- xorg-libxxf86vm ==1.1.7 hb03c661_0
- xorg-xorgproto ==2025.1 hb03c661_0
- yaml ==0.2.5 h280c20c_3
- zlib ==1.3.2 h25fd6f3_2
- zlib-ng ==2.3.3 hceb46e0_1
- zstandard ==0.25.0 py313h54dd161_1
- zstd ==1.5.7 hb78ec9c_6
- _python_abi3_support ==1.0 hd8ed1ab_2
- absl-py ==2.4.0 pyhd8ed1ab_0
- adjusttext ==1.4.0 pyhd8ed1ab_1
- adwaita-icon-theme ==49.0 unix_0
- annotated-types ==0.7.0 pyhd8ed1ab_1
- asttokens ==3.0.1 pyhd8ed1ab_0
- boto3 ==1.43.29 pyhd8ed1ab_0
- botocore ==1.43.29 pyhd8ed1ab_0
- bson ==0.5.10 pyhd8ed1ab_0
- ca-certificates ==2026.5.20 hbd8a1cb_0
- cached-property ==1.5.2 hd8ed1ab_1
- cached_property ==1.5.2 pyha770c72_1
- cachetools ==7.1.4 pyhd8ed1ab_0
- certifi ==2026.5.20 pyhd8ed1ab_0
- charset-normalizer ==3.4.7 pyhd8ed1ab_0
- cinnabar ==0.5.0 pyhc364b38_3
- click ==8.4.1 pyhc90fa1f_0
- click-option-group ==0.5.6 pyhd8ed1ab_0
- colorama ==0.4.6 pyhd8ed1ab_1
- comm ==0.2.3 pyhe01879c_0
- cpython ==3.13.14 py313hd8ed1ab_100
- cuda-cccl_linux-64 ==12.9.27 ha770c72_0
- cuda-crt-dev_linux-64 ==12.9.86 ha770c72_2
- cuda-cudart-dev_linux-64 ==12.9.79 h3f2d84a_0
- cuda-cudart-static_linux-64 ==12.9.79 h3f2d84a_0
- cuda-cudart_linux-64 ==12.9.79 h3f2d84a_0
- cuda-nvcc-dev_linux-64 ==12.9.86 he91c749_2
- cuda-nvvm-dev_linux-64 ==12.9.86 ha770c72_2
- cuda-python ==12.9.0 pyhd4762b7_2
- cuda-version ==12.9 h4f385c5_3
- cycler ==0.12.1 pyhcf101f3_2
- decorator ==5.3.1 pyhd8ed1ab_0
- dill ==0.4.1 pyhcf101f3_0
- distro ==1.8.0 pyhd8ed1ab_0
- einops ==0.8.2 pyhd8ed1ab_0
- exceptiongroup ==1.3.1 pyhd8ed1ab_0
- executing ==2.2.1 pyhd8ed1ab_0
- filelock ==3.29.4 pyhd8ed1ab_0
- flexcache ==0.3 pyhd8ed1ab_1
- flexparser ==0.4 pyhd8ed1ab_1
- font-ttf-dejavu-sans-mono ==2.37 hab24e00_0
- font-ttf-inconsolata ==3.0 h77eed37_0
- font-ttf-source-code-pro ==2.38 h77eed37_0
- font-ttf-ubuntu ==0.83 h77eed37_3
- fonts-conda-ecosystem ==1 0
- fonts-conda-forge ==1 hc364b38_1
- freetype-py ==2.3.0 pyhd8ed1ab_0
- fsspec ==2026.6.0 pyhd8ed1ab_0
- func_timeout ==4.3.5 pyhd8ed1ab_1
- gitdb ==4.0.12 pyhd8ed1ab_0
- gitpython ==3.1.50 pyhd8ed1ab_0
- griddataformats ==1.2.0 pyhd8ed1ab_0
- gufe ==1.10.0 pyhc364b38_0
- h2 ==4.3.0 pyhcf101f3_0
- hjson-py ==3.1.0 pyhd8ed1ab_1
- hpack ==4.1.0 pyhd8ed1ab_0
- hyperframe ==6.1.0 pyhd8ed1ab_0
- idna ==3.18 pyhcf101f3_0
- ijson ==3.5.0 pyhd8ed1ab_0
- importlib-metadata ==9.0.0 pyhcf101f3_0
- importlib_resources ==7.1.0 pyhd8ed1ab_0
- iniconfig ==2.3.0 pyhd8ed1ab_0
- ipycytoscape ==1.3.3 pyhd8ed1ab_1
- ipython ==9.14.1 pyh53cf698_0
- ipython_pygments_lexers ==1.1.1 pyhd8ed1ab_0
- ipywidgets ==8.1.8 pyhd8ed1ab_0
- jax ==0.9.0 pyhd8ed1ab_0
- jedi ==0.19.2 pyhd8ed1ab_1
- jinja2 ==3.1.6 pyhcf101f3_1
- jmespath ==1.0.1 pyhd8ed1ab_1
- joblib ==1.5.3 pyhd8ed1ab_0
- jupyterlab_widgets ==3.0.16 pyhcf101f3_1
- kartograf ==1.2.0 pyhc364b38_1
- konnektor ==0.3.0 pyhc364b38_0
- legacy-cgi ==2.6.4 pyh742d864_0
- libnvptxcompiler-dev_linux-64 ==12.9.86 ha770c72_2
- lightning-utilities ==0.15.3 pyhd8ed1ab_0
- lomap2 ==3.2.1 pyhd8ed1ab_3
- markdown-it-py ==4.2.0 pyhd8ed1ab_0
- matplotlib-inline ==0.2.2 pyhd8ed1ab_0
- mda-xdrlib ==0.2.0 pyhd8ed1ab_1
- mdurl ==0.1.2 pyhd8ed1ab_1
- memory_profiler ==0.61.0 pyhcf101f3_1
- ml-collections ==1.0.0 pyh29332c3_0
- mmtf-python ==1.1.3 pyhd8ed1ab_0
- mpiplus ==v0.0.2 pyhd8ed1ab_0
- mpmath ==1.4.1 pyhd8ed1ab_0
- mrcfile ==1.5.4 pyhd8ed1ab_0
- munkres ==1.1.4 pyhd8ed1ab_1
- narwhals ==2.22.1 pyhcf101f3_0
- networkx ==3.6.1 pyhcf101f3_0
- nvidia-ml-py ==13.610.43 pyhd8ed1ab_0
- openfe ==1.11.1 pyh41f635c_1
- openfe-analysis ==0.4.0 pyhd8ed1ab_0
- openfe-base ==1.11.1 pyhc364b38_1
- openff-amber-ff-ports ==2025.9.0 pyhd8ed1ab_0
- openff-forcefields ==2026.1.0 pyhd8ed1ab_0
- openff-interchange ==0.5.3 pyhd8ed1ab_3
- openff-interchange-base ==0.5.3 pyhd8ed1ab_3
- openff-nagl ==0.5.5 pyhd8ed1ab_0
- openff-nagl-base ==0.5.5 pyhd8ed1ab_0
- openff-nagl-models ==2025.9.0 pyhd8ed1ab_1
- openff-packmol ==0.1 pyhc364b38_1
- openff-toolkit ==0.18.1 pyhd8ed1ab_1
- openff-toolkit-base ==0.18.1 pyhd8ed1ab_1
- openff-units ==0.3.1 pyhd8ed1ab_2
- openff-utilities ==0.1.16 pyhd8ed1ab_1
- openmmforcefields ==0.15.1 pyhcf101f3_1
- openmmtools ==0.26.0 pyhcf101f3_1
- opt_einsum ==3.4.0 pyhd8ed1ab_1
- packaging ==26.2 pyhc364b38_0
- parso ==0.8.7 pyhcf101f3_0
- patsy ==1.0.2 pyhcf101f3_0
- pdbeccdutils ==1.0.3 pyhd8ed1ab_0
- pdbfixer ==1.12 pyhd8ed1ab_1
- pexpect ==4.9.0 pyhd8ed1ab_1
- pint ==0.24.4 pyhe01879c_2
- pip ==26.1.2 pyh145f28c_0
- platformdirs ==4.10.0 pyhcf101f3_0
- plotly ==6.8.0 pyhd8ed1ab_0
- plugcli ==0.2.1 pyhd8ed1ab_0
- pluggy ==1.6.0 pyhf9edf01_1
- pooch ==1.9.0 pyhd8ed1ab_0
- prompt-toolkit ==3.0.51 pyha770c72_0
- ptyprocess ==0.7.0 pyhd8ed1ab_1
- pure_eval ==0.2.3 pyhd8ed1ab_1
- py-cpuinfo ==9.0.0 pyhd8ed1ab_1
- py3dmol ==2.5.4 pyhd8ed1ab_0
- pybind11 ==2.13.6 pyhc790b64_3
- pybind11-abi ==4 hd8ed1ab_3
- pybind11-global ==2.13.6 pyh217bc35_3
- pycparser ==3.0 pyhcf101f3_0
- pydantic ==2.11.10 pyh3cfb1c2_0
- pyedr ==0.8.0 pyhd8ed1ab_1
- pygments ==2.20.0 pyhd8ed1ab_0
- pymbar ==4.2.0 pyha770c72_2
- pymbar-core ==4.2.0 pyhd8ed1ab_2
- pyparsing ==3.3.2 pyhcf101f3_0
- pysocks ==1.7.1 pyha55dd90_7
- pytest ==9.0.3 pyhc364b38_1
- pytest-datadir ==1.8.0 pyhd8ed1ab_0
- pytest-regressions ==2.11.0 pyhc455866_0
- pytest-rerunfailures ==16.3 pyhd8ed1ab_0
- python-constraint ==1.4.0 pyhff2d567_1
- python-dateutil ==2.9.0 pyhd8ed1ab_0
- python-gil ==3.13.14 h4df99d1_100
- python-tzdata ==2026.2 pyhd8ed1ab_0
- python_abi ==3.13 8_cp313
- pytorch-lightning ==2.6.5 pyhcf101f3_0
- pytz ==2026.2 pyhcf101f3_0
- reportlab ==4.5.1 pyhc364b38_0
- requests ==2.34.2 pyhcf101f3_0
- rich ==15.0.0 pyhcf101f3_0
- rlpycairo ==0.4.0 pyh6c17108_0
- ruamel.yaml ==0.19.1 pyhcf101f3_0
- s3transfer ==0.18.0 pyhd8ed1ab_0
- scikit-mol ==0.6.1 pyhd8ed1ab_0
- seaborn ==0.13.2 hd8ed1ab_3
- seaborn-base ==0.13.2 pyhd8ed1ab_3
- sentry-sdk ==2.63.0 pyhd8ed1ab_0
- setuptools ==82.0.1 pyh332efcf_0
- six ==1.17.0 pyhe01879c_1
- smmap ==5.0.3 pyhcf101f3_1
- spectate ==1.0.1 pyhd8ed1ab_0
- stack_data ==0.6.3 pyhd8ed1ab_1
- sympy ==1.14.0 pyh2585a3b_106
- threadpoolctl ==3.6.0 pyhecae5ae_0
- tidynamics ==1.1.2 pyhd8ed1ab_0
- tinydb ==4.8.2 pyhd8ed1ab_1
- tomli ==2.4.1 pyhcf101f3_0
- torchmetrics ==1.9.0 pyhd8ed1ab_0
- tqdm ==4.68.2 pyh8f84b5b_1
- traitlets ==5.15.1 pyhcf101f3_0
- typing-extensions ==4.15.0 h396c80c_0
- typing-inspection ==0.4.2 pyhcf101f3_2
- typing_extensions ==4.15.0 pyhcf101f3_0
- tzdata ==2025c hc9c84f9_1
- urllib3 ==2.6.3 pyhd8ed1ab_0
- validators ==0.35.0 pyhd8ed1ab_0
- wcwidth ==0.2.14 pyhd8ed1ab_0
- widgetsnbextension ==4.0.15 pyhd8ed1ab_0
- xmltodict ==1.0.2 pyhcf101f3_0
- zipp ==4.1.0 pyhcf101f3_0
- pip
- pip:
  - kalign-python==3.6.0
  - openfold3==0.4.1