name: BindCraft
channels:
  - anaconda
  - conda-forge
  - defaults
dependencies:
  - _libgcc_mutex=0.1=conda_forge
  - _openmp_mutex=4.5=2_kmp_llvm
  - absl-py=2.1.0=pyhd8ed1ab_0
  - alsa-lib=1.2.12=h4ab18f5_0
  - anyio=4.6.2.post1=pyhd8ed1ab_0
  - aom=3.9.1=hac33072_0
  - argon2-cffi=23.1.0=pyhd8ed1ab_0
  - argon2-cffi-bindings=21.2.0=py310ha75aee5_5
  - arrow=1.3.0=pyhd8ed1ab_0
  - asttokens=2.4.1=pyhd8ed1ab_0
  - async-lru=2.0.4=pyhd8ed1ab_0
  - attrs=24.2.0=pyh71513ae_0
  - babel=2.14.0=pyhd8ed1ab_0
  - beautifulsoup4=4.12.3=pyha770c72_0
  - biopython=1.84=py310hc51659f_0
  - bleach=6.1.0=pyhd8ed1ab_0
  - blosc=1.21.6=hef167b5_0
  - brotli=1.1.0=hb9d3cd8_2
  - brotli-bin=1.1.0=hb9d3cd8_2
  - brotli-python=1.1.0=py310hf71b8c6_2
  - bzip2=1.0.8=h5eee18b_6
  - c-ares=1.34.2=heb4867d_0
  - ca-certificates=2024.8.30=hbcca054_0
  - cached-property=1.5.2=hd8ed1ab_1
  - cached_property=1.5.2=pyha770c72_1
  - cairo=1.18.0=hebfffa5_3
  - certifi=2024.8.30=pyhd8ed1ab_0
  - cffi=1.17.1=py310h8deb56e_0
  - charset-normalizer=3.4.0=pyhd8ed1ab_0
  - chex=0.1.5=py310h06a4308_0
  - colorama=0.4.6=pyhd8ed1ab_0
  - comm=0.2.2=pyhd8ed1ab_0
  - contextlib2=21.6.0=pyhd8ed1ab_0
  - contourpy=1.3.0=py310h3788b33_2
  - cudatoolkit=11.8.0=h4ba93d1_13
  - cycler=0.12.1=pyhd8ed1ab_0
  - cyrus-sasl=2.1.27=h54b06d7_7
  - dataclasses=0.8=pyhc8e2a94_3
  - dav1d=1.2.1=hd590300_0
  - dbus=1.13.6=h5008d03_3
  - debugpy=1.8.7=py310hf71b8c6_0
  - decorator=5.1.1=pyhd8ed1ab_0
  - defusedxml=0.7.1=pyhd8ed1ab_0
  - dm-haiku=0.0.12=pyhd8ed1ab_0
  - dm-tree=0.1.8=py310h0e2eeba_5
  - double-conversion=3.3.0=h59595ed_0
  - entrypoints=0.4=pyhd8ed1ab_0
  - etils=1.9.4=pyhd8ed1ab_0
  - exceptiongroup=1.2.2=pyhd8ed1ab_0
  - executing=2.1.0=pyhd8ed1ab_0
  - expat=2.6.3=h5888daf_0
  - ffmpeg=7.1.0=gpl_he2fd91e_701
  - flax=0.9.0=pyhd8ed1ab_0
  - 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=2.14.2=h14ed4e7_0
  - fonts-conda-ecosystem=1=0
  - fonts-conda-forge=1=0
  - fonttools=4.54.1=py310ha75aee5_0
  - fqdn=1.5.1=pyhd8ed1ab_0
  - freetype=2.12.1=h267a509_2
  - fribidi=1.0.10=h36c2ea0_0
  - fsspec=2024.9.0=pyhff2d567_0
  - gmp=6.3.0=hac33072_2
  - graphite2=1.3.13=h59595ed_1003
  - h11=0.14.0=pyhd8ed1ab_0
  - h2=4.1.0=pyhd8ed1ab_0
  - harfbuzz=9.0.0=hda332d3_1
  - hpack=4.0.0=pyh9f0ad1d_0
  - httpcore=1.0.6=pyhd8ed1ab_0
  - httpx=0.27.2=pyhd8ed1ab_0
  - hyperframe=6.0.1=pyhd8ed1ab_0
  - icu=75.1=he02047a_0
  - idna=3.10=pyhd8ed1ab_0
  - immutabledict=4.2.0=pyhd8ed1ab_0
  - importlib-metadata=8.5.0=pyha770c72_0
  - importlib_metadata=8.5.0=hd8ed1ab_0
  - importlib_resources=6.4.5=pyhd8ed1ab_0
  - ipykernel=6.29.5=pyh3099207_0
  - ipython=8.28.0=pyh707e725_0
  - ipywidgets=8.1.5=pyhd8ed1ab_0
  - isoduration=20.11.0=pyhd8ed1ab_0
  - jedi=0.19.1=pyhd8ed1ab_0
  - jinja2=3.1.4=pyhd8ed1ab_0
  - jmp=0.0.4=pyhd8ed1ab_0
  - joblib=1.4.2=pyhd8ed1ab_0
  - json5=0.9.25=pyhd8ed1ab_0
  - jsonpointer=3.0.0=py310hff52083_1
  - jsonschema=4.23.0=pyhd8ed1ab_0
  - jsonschema-specifications=2024.10.1=pyhd8ed1ab_0
  - jsonschema-with-format-nongpl=4.23.0=hd8ed1ab_0
  - jupyter=1.1.1=pyhd8ed1ab_0
  - jupyter-lsp=2.2.5=pyhd8ed1ab_0
  - jupyter_client=8.6.3=pyhd8ed1ab_0
  - jupyter_console=6.6.3=pyhd8ed1ab_0
  - jupyter_core=5.7.2=pyh31011fe_1
  - jupyter_events=0.10.0=pyhd8ed1ab_0
  - jupyter_server=2.14.2=pyhd8ed1ab_0
  - jupyter_server_terminals=0.5.3=pyhd8ed1ab_0
  - jupyterlab=4.2.5=pyhd8ed1ab_0
  - jupyterlab_pygments=0.3.0=pyhd8ed1ab_1
  - jupyterlab_server=2.27.3=pyhd8ed1ab_0
  - jupyterlab_widgets=3.0.13=pyhd8ed1ab_0
  - keyutils=1.6.1=h166bdaf_0
  - kiwisolver=1.4.7=py310h3788b33_0
  - krb5=1.21.3=h659f571_0
  - lame=3.100=h166bdaf_1003
  - lcms2=2.16=hb7c19ff_0
  - ld_impl_linux-64=2.40=h12ee557_0
  - lerc=4.0.0=h27087fc_0
  - libabseil=20240116.2=cxx17_he02047a_1
  - libass=0.17.3=h1dc1e6a_0
  - libavif16=1.1.1=h104a339_1
  - libblas=3.9.0=24_linux64_openblas
  - libbrotlicommon=1.1.0=hb9d3cd8_2
  - libbrotlidec=1.1.0=hb9d3cd8_2
  - libbrotlienc=1.1.0=hb9d3cd8_2
  - libcblas=3.9.0=24_linux64_openblas
  - libclang-cpp19.1=19.1.2=default_hb5137d0_0
  - libclang13=19.1.2=default_h9c6a7e4_0
  - libcups=2.3.3=h4637d8d_4
  - libcurl=8.10.1=hbbe4b11_0
  - libdeflate=1.22=hb9d3cd8_0
  - libdrm=2.4.123=hb9d3cd8_0
  - libedit=3.1.20191231=he28a2e2_2
  - libegl=1.7.0=ha4b6fd6_1
  - libev=4.33=hd590300_2
  - libexpat=2.6.3=h5888daf_0
  - libffi=3.4.4=h6a678d5_1
  - libgcc=14.2.0=h77fa898_1
  - libgcc-ng=14.2.0=h69a702a_1
  - libgfortran=14.2.0=h69a702a_1
  - libgfortran-ng=14.2.0=h69a702a_1
  - libgfortran5=14.2.0=hd5240d6_1
  - libgl=1.7.0=ha4b6fd6_1
  - libglib=2.82.1=h2ff4ddf_1
  - libglvnd=1.7.0=ha4b6fd6_1
  - libglx=1.7.0=ha4b6fd6_1
  - libhwloc=2.11.1=default_hecaa2ac_1000
  - libiconv=1.17=hd590300_2
  - libjpeg-turbo=3.0.0=hd590300_1
  - liblapack=3.9.0=24_linux64_openblas
  - libllvm19=19.1.2=ha7bfdaf_0
  - libnghttp2=1.58.0=h47da74e_1
  - libnsl=2.0.1=hd590300_0
  - libntlm=1.4=h7f98852_1002
  - libopenblas=0.3.27=pthreads_hac2b453_1
  - libopengl=1.7.0=ha4b6fd6_1
  - libopenvino=2024.4.0=hac27bb2_0
  - libopenvino-auto-batch-plugin=2024.4.0=h4d9b6c2_0
  - libopenvino-auto-plugin=2024.4.0=h4d9b6c2_0
  - libopenvino-hetero-plugin=2024.4.0=h3f63f65_0
  - libopenvino-intel-cpu-plugin=2024.4.0=hac27bb2_0
  - libopenvino-intel-gpu-plugin=2024.4.0=hac27bb2_0
  - libopenvino-intel-npu-plugin=2024.4.0=hac27bb2_0
  - libopenvino-ir-frontend=2024.4.0=h3f63f65_0
  - libopenvino-onnx-frontend=2024.4.0=h56242b0_0
  - libopenvino-paddle-frontend=2024.4.0=h56242b0_0
  - libopenvino-pytorch-frontend=2024.4.0=h5888daf_0
  - libopenvino-tensorflow-frontend=2024.4.0=h358ae18_0
  - libopenvino-tensorflow-lite-frontend=2024.4.0=h5888daf_0
  - libopus=1.3.1=h7f98852_1
  - libpciaccess=0.18=hd590300_0
  - libpng=1.6.44=hadc24fc_0
  - libpq=17.0=h04577a9_4
  - libprotobuf=4.25.3=hd5b35b9_1
  - libsodium=1.0.20=h4ab18f5_0
  - libsqlite=3.46.1=hadc24fc_0
  - libssh2=1.11.0=h0841786_0
  - libstdcxx=14.2.0=hc0a3c3a_1
  - libstdcxx-ng=14.2.0=h4852527_1
  - libtiff=4.7.0=he137b08_1
  - libuuid=2.38.1=h0b41bf4_0
  - libva=2.22.0=h8a09558_1
  - libvpx=1.14.1=hac33072_0
  - libwebp-base=1.4.0=hd590300_0
  - libxcb=1.17.0=h8a09558_0
  - libxcrypt=4.4.36=hd590300_1
  - libxkbcommon=1.7.0=h2c5496b_1
  - libxml2=2.12.7=he7c6b58_4
  - libxslt=1.1.39=h76b75d6_0
  - libzlib=1.3.1=hb9d3cd8_2
  - llvm-openmp=19.1.1=h024ca30_1
  - lz4-c=1.9.4=hcb278e6_0
  - markdown-it-py=3.0.0=pyhd8ed1ab_0
  - markupsafe=3.0.1=py310h89163eb_1
  - matplotlib=3.9.2=py310hff52083_1
  - matplotlib-base=3.9.2=py310h68603db_1
  - matplotlib-inline=0.1.7=pyhd8ed1ab_0
  - mdurl=0.1.2=pyhd8ed1ab_0
  - mistune=3.0.2=pyhd8ed1ab_0
  - ml-collections=0.1.1=pyhd8ed1ab_0
  - ml_dtypes=0.5.0=py310h5eaa309_0
  - msgpack-python=1.1.0=py310h3788b33_0
  - munkres=1.1.4=pyh9f0ad1d_0
  - mysql-common=9.0.1=h266115a_1
  - mysql-libs=9.0.1=he0572af_1
  - nbclient=0.10.0=pyhd8ed1ab_0
  - nbconvert-core=7.16.4=pyhd8ed1ab_1
  - nbformat=5.10.4=pyhd8ed1ab_0
  - ncurses=6.5=he02047a_1
  - nest-asyncio=1.6.0=pyhd8ed1ab_0
  - notebook=7.2.2=pyhd8ed1ab_0
  - notebook-shim=0.2.4=pyhd8ed1ab_0
  - numpy=1.26.4=py310hb13e2d6_0
  - ocl-icd=2.3.2=hd590300_1
  - ocl-icd-system=1.0.0=1
  - openh264=2.4.1=h59595ed_0
  - openjpeg=2.5.2=h488ebb8_0
  - openldap=2.6.8=hedd0468_0
  - openmm=8.1.2=py310h6b72300_2
  - openssl=3.3.2=hb9d3cd8_0
  - opt-einsum=3.4.0=hd8ed1ab_0
  - opt_einsum=3.4.0=pyhd8ed1ab_0
  - optax=0.1.9=pyhd8ed1ab_0
  - orbax-checkpoint=0.4.4=pyhd8ed1ab_0
  - overrides=7.7.0=pyhd8ed1ab_0
  - packaging=24.1=pyhd8ed1ab_0
  - pandas=2.2.3=py310h5eaa309_1
  - pandocfilters=1.5.0=pyhd8ed1ab_0
  - parso=0.8.4=pyhd8ed1ab_0
  - patsy=0.5.6=pyhd8ed1ab_0
  - pcre2=10.44=hba22ea6_2
  - pdbfixer=1.9=pyh1a96a4e_0
  - pexpect=4.9.0=pyhd8ed1ab_0
  - pickleshare=0.7.5=py_1003
  - pillow=11.0.0=py310hfeaa1f3_0
  - pip=24.2=pyh8b19718_1
  - pixman=0.43.2=h59595ed_0
  - pkgutil-resolve-name=1.3.10=pyhd8ed1ab_1
  - platformdirs=4.3.6=pyhd8ed1ab_0
  - prometheus_client=0.21.0=pyhd8ed1ab_0
  - prompt-toolkit=3.0.48=pyha770c72_0
  - prompt_toolkit=3.0.48=hd8ed1ab_0
  - protobuf=4.25.3=py310h0e2eeba_1
  - psutil=6.0.0=py310ha75aee5_2
  - pthread-stubs=0.4=hb9d3cd8_1002
  - ptyprocess=0.7.0=pyhd3deb0d_0
  - pugixml=1.14=h59595ed_0
  - pure_eval=0.2.3=pyhd8ed1ab_0
  - py3dmol=2.4.0=pyhd8ed1ab_0
  - pybind11-abi=4=hd8ed1ab_3
  - pycparser=2.22=pyhd8ed1ab_0
  - pygments=2.18.0=pyhd8ed1ab_0
  - pyparsing=3.2.0=pyhd8ed1ab_1
  - pyside6=6.8.0=py310hfd10a26_1
  - pysocks=1.7.1=pyha2e5f31_6
  - python=3.10.15=h4a871b0_2_cpython
  - python-dateutil=2.9.0=pyhd8ed1ab_0
  - python-fastjsonschema=2.20.0=pyhd8ed1ab_0
  - python-json-logger=2.0.7=pyhd8ed1ab_0
  - python-tzdata=2024.2=pyhd8ed1ab_0
  - python_abi=3.10=5_cp310
  - pytz=2024.1=pyhd8ed1ab_0
  - pyyaml=6.0.2=py310ha75aee5_1
  - pyzmq=26.2.0=py310h71f11fc_3
  - qhull=2020.2=h434a139_5
  - qt6-main=6.8.0=h6e8976b_0
  - rav1e=0.6.6=he8a937b_2
  - readline=8.2=h5eee18b_0
  - referencing=0.35.1=pyhd8ed1ab_0
  - requests=2.32.3=pyhd8ed1ab_0
  - rfc3339-validator=0.1.4=pyhd8ed1ab_0
  - rfc3986-validator=0.1.1=pyh9f0ad1d_0
  - rich=13.9.2=pyhd8ed1ab_0
  - rpds-py=0.20.0=py310h505e2c1_1
  - scipy=1.14.1=py310ha3fb0e1_0
  - seaborn=0.13.2=hd8ed1ab_2
  - seaborn-base=0.13.2=pyhd8ed1ab_2
  - send2trash=1.8.3=pyh0d859eb_0
  - setuptools=75.1.0=py310h06a4308_0
  - six=1.16.0=pyh6c4a22f_0
  - snappy=1.2.1=ha2e4443_0
  - sniffio=1.3.1=pyhd8ed1ab_0
  - soupsieve=2.5=pyhd8ed1ab_1
  - stack_data=0.6.2=pyhd8ed1ab_0
  - statsmodels=0.14.4=py310hf462985_0
  - svt-av1=2.2.1=h5888daf_0
  - tabulate=0.9.0=pyhd8ed1ab_1
  - tbb=2021.13.0=h84d6215_0
  - tensorstore=0.1.65=py310h55c8a0d_1
  - terminado=0.18.1=pyh0d859eb_0
  - tinycss2=1.3.0=pyhd8ed1ab_0
  - tk=8.6.13=noxft_h4845f30_101
  - tomli=2.0.2=pyhd8ed1ab_0
  - toolz=1.0.0=pyhd8ed1ab_0
  - tornado=6.4.1=py310ha75aee5_1
  - tqdm=4.66.5=pyhd8ed1ab_0
  - traitlets=5.14.3=pyhd8ed1ab_0
  - types-python-dateutil=2.9.0.20241003=pyhff2d567_0
  - typing-extensions=4.12.2=hd8ed1ab_0
  - typing_extensions=4.12.2=pyha770c72_0
  - typing_utils=0.1.0=pyhd8ed1ab_0
  - tzdata=2024b=h04d1e81_0
  - unicodedata2=15.1.0=py310h2372a71_0
  - uri-template=1.3.0=pyhd8ed1ab_0
  - urllib3=2.2.3=pyhd8ed1ab_0
  - wayland=1.23.1=h3e06ad9_0
  - wayland-protocols=1.37=hd8ed1ab_0
  - wcwidth=0.2.13=pyhd8ed1ab_0
  - webcolors=24.8.0=pyhd8ed1ab_0
  - webencodings=0.5.1=pyhd8ed1ab_2
  - websocket-client=1.8.0=pyhd8ed1ab_0
  - wheel=0.44.0=py310h06a4308_0
  - widgetsnbextension=4.0.13=pyhd8ed1ab_0
  - x264=1!164.3095=h166bdaf_2
  - x265=3.5=h924138e_3
  - xcb-util=0.4.1=hb711507_2
  - xcb-util-cursor=0.1.5=hb9d3cd8_0
  - xcb-util-image=0.4.0=hb711507_2
  - xcb-util-keysyms=0.4.1=hb711507_0
  - xcb-util-renderutil=0.3.10=hb711507_0
  - xcb-util-wm=0.4.2=hb711507_0
  - xkeyboard-config=2.43=hb9d3cd8_0
  - xorg-libice=1.1.1=hb9d3cd8_1
  - xorg-libsm=1.2.4=he73a12e_1
  - xorg-libx11=1.8.10=h4f16b4b_0
  - xorg-libxau=1.0.11=hb9d3cd8_1
  - xorg-libxcomposite=0.4.6=hb9d3cd8_2
  - xorg-libxcursor=1.2.2=hb9d3cd8_0
  - xorg-libxdamage=1.1.6=hb9d3cd8_0
  - xorg-libxdmcp=1.1.5=hb9d3cd8_0
  - xorg-libxext=1.3.6=hb9d3cd8_0
  - xorg-libxfixes=6.0.1=hb9d3cd8_0
  - xorg-libxi=1.8.2=hb9d3cd8_0
  - xorg-libxrandr=1.5.4=hb9d3cd8_0
  - xorg-libxrender=0.9.11=hb9d3cd8_1
  - xorg-libxtst=1.2.5=hb9d3cd8_3
  - xorg-libxxf86vm=1.1.5=hb9d3cd8_4
  - xorg-xorgproto=2024.1=hb9d3cd8_1
  - xz=5.4.6=h5eee18b_1
  - yaml=0.2.5=h7f98852_2
  - zeromq=4.3.5=h3b0a872_6
  - zipp=3.20.2=pyhd8ed1ab_0
  - zlib=1.3.1=hb9d3cd8_2
  - zstandard=0.23.0=py310ha39cb0e_1
  - zstd=1.5.6=ha6fb4c9_0
  - pip:
      - jax==0.4.34
      - jax-cuda12-pjrt==0.4.34
      - jax-cuda12-plugin==0.4.34
      - jaxlib==0.4.34
      - nvidia-cublas-cu12==12.6.3.3
      - nvidia-cuda-cupti-cu12==12.6.80
      - nvidia-cuda-nvcc-cu12==12.6.77
      - nvidia-cuda-runtime-cu12==12.6.77
      - nvidia-cudnn-cu12==9.5.0.50
      - nvidia-cufft-cu12==11.3.0.4
      - nvidia-cusolver-cu12==11.7.1.2
      - nvidia-cusparse-cu12==12.5.4.2
      - nvidia-nccl-cu12==2.23.4
      - nvidia-nvjitlink-cu12==12.6.77
      - pyrosetta==2024.24+release.ca096da
prefix: /global/scratch/users/ronb/.conda/BindCraft