proteinmpnn.yml

name: ProteinMPNN
channels:
  - pytorch
  - conda-forge
dependencies:
  - _libgcc_mutex=0.1=conda_forge
  - _openmp_mutex=4.5=2_kmp_llvm
  - alsa-lib=1.2.13=hb9d3cd8_0
  - anyio=4.8.0=pyhd8ed1ab_0
  - aom=3.6.1=h59595ed_0
  - argon2-cffi=23.1.0=pyhd8ed1ab_1
  - argon2-cffi-bindings=21.2.0=py310ha75aee5_5
  - arrow=1.3.0=pyhd8ed1ab_1
  - asttokens=3.0.0=pyhd8ed1ab_1
  - async-lru=2.0.4=pyhd8ed1ab_1
  - attrs=25.1.0=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
  - brotli=1.1.0=hb9d3cd8_2
  - brotli-bin=1.1.0=hb9d3cd8_2
  - brotli-python=1.1.0=py310hf71b8c6_2
  - bzip2=1.0.8=h4bc722e_7
  - ca-certificates=2025.1.31=hbcca054_0
  - cached-property=1.5.2=hd8ed1ab_1
  - cached_property=1.5.2=pyha770c72_1
  - cairo=1.18.2=h3394656_1
  - certifi=2025.1.31=pyhd8ed1ab_0
  - cffi=1.17.1=py310h8deb56e_0
  - charset-normalizer=3.4.1=pyhd8ed1ab_0
  - comm=0.2.2=pyhd8ed1ab_1
  - contourpy=1.3.1=py310h3788b33_0
  - cpython=3.10.16=py310hd8ed1ab_1
  - cudatoolkit=11.3.1=hb98b00a_13
  - cycler=0.12.1=pyhd8ed1ab_1
  - cyrus-sasl=2.1.27=h54b06d7_7
  - dbus=1.13.6=h5008d03_3
  - debugpy=1.8.12=py310hf71b8c6_0
  - decorator=5.1.1=pyhd8ed1ab_1
  - defusedxml=0.7.1=pyhd8ed1ab_0
  - double-conversion=3.3.0=h59595ed_0
  - exceptiongroup=1.2.2=pyhd8ed1ab_1
  - executing=2.1.0=pyhd8ed1ab_1
  - expat=2.6.4=h5888daf_0
  - ffmpeg=4.4.2=gpl_hdf48244_113
  - filelock=3.17.0=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=2.15.0=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=2.12.1=h267a509_2
  - gettext=0.23.1=h5888daf_0
  - gettext-tools=0.23.1=h5888daf_0
  - giflib=5.2.2=hd590300_0
  - gmp=6.3.0=hac33072_2
  - gmpy2=2.1.5=py310he8512ff_3
  - gnutls=3.7.9=hb077bed_0
  - graphite2=1.3.13=h59595ed_1003
  - h11=0.14.0=pyhd8ed1ab_1
  - h2=4.2.0=pyhd8ed1ab_0
  - harfbuzz=10.2.0=h4bba637_0
  - 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=8.32.0=pyh907856f_0
  - isoduration=20.11.0=pyhd8ed1ab_1
  - jedi=0.19.2=pyhd8ed1ab_1
  - jinja2=3.1.5=pyhd8ed1ab_0
  - 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=4.3.5=pyhd8ed1ab_0
  - jupyterlab_pygments=0.3.0=pyhd8ed1ab_2
  - jupyterlab_server=2.27.3=pyhd8ed1ab_1
  - 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_2
  - lerc=4.0.0=h27087fc_0
  - libasprintf=0.23.1=h8e693c7_0
  - libasprintf-devel=0.23.1=h8e693c7_0
  - libblas=3.9.0=16_linux64_mkl
  - libbrotlicommon=1.1.0=hb9d3cd8_2
  - libbrotlidec=1.1.0=hb9d3cd8_2
  - libbrotlienc=1.1.0=hb9d3cd8_2
  - libcblas=3.9.0=16_linux64_mkl
  - libclang-cpp19.1=19.1.7=default_hb5137d0_1
  - libclang13=19.1.7=default_h9c6a7e4_1
  - libcups=2.3.3=h4637d8d_4
  - libdeflate=1.23=h4ddbbb0_0
  - libdrm=2.4.124=hb9d3cd8_0
  - libedit=3.1.20250104=pl5321h7949ede_0
  - libegl=1.7.0=ha4b6fd6_2
  - libexpat=2.6.4=h5888daf_0
  - libffi=3.4.6=h2dba641_0
  - libgcc=14.2.0=h77fa898_1
  - libgcc-ng=14.2.0=h69a702a_1
  - libgettextpo=0.23.1=h5888daf_0
  - libgettextpo-devel=0.23.1=h5888daf_0
  - libgfortran=14.2.0=h69a702a_1
  - libgfortran-ng=14.2.0=h69a702a_1
  - libgfortran5=14.2.0=hd5240d6_1
  - 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=h77fa898_1
  - libhwloc=2.11.2=default_h0d58e46_1001
  - libiconv=1.17=hd590300_2
  - libidn2=2.3.7=hd590300_0
  - libjpeg-turbo=3.0.0=hd590300_1
  - liblapack=3.9.0=16_linux64_mkl
  - liblapacke=3.9.0=16_linux64_mkl
  - libllvm19=19.1.7=ha7bfdaf_1
  - liblzma=5.6.4=hb9d3cd8_0
  - libnsl=2.0.1=hd590300_0
  - libntlm=1.8=hb9d3cd8_0
  - libopengl=1.7.0=ha4b6fd6_2
  - libpciaccess=0.18=hd590300_0
  - libpng=1.6.46=h943b412_0
  - libpq=17.3=h27ae623_0
  - libsodium=1.0.20=h4ab18f5_0
  - libsqlite=3.48.0=hee588c1_1
  - libstdcxx=14.2.0=hc0a3c3a_1
  - libstdcxx-ng=14.2.0=h4852527_1
  - libtasn1=4.20.0=hb9d3cd8_0
  - libtiff=4.7.0=hd9ff511_3
  - libunistring=0.9.10=h7f98852_0
  - libuuid=2.38.1=h0b41bf4_0
  - libva=2.22.0=h8a09558_1
  - libvpx=1.13.1=h59595ed_0
  - libwebp=1.5.0=hae8dbeb_0
  - libwebp-base=1.5.0=h851e524_0
  - libxcb=1.17.0=h8a09558_0
  - libxcrypt=4.4.36=hd590300_1
  - libxkbcommon=1.8.0=hc4a0caf_0
  - libxml2=2.13.5=h8d12d68_1
  - libxslt=1.1.39=h76b75d6_0
  - libzlib=1.3.1=hb9d3cd8_2
  - llvm-openmp=15.0.7=h0cdce71_0
  - markupsafe=3.0.2=py310h89163eb_1
  - matplotlib=3.10.0=py310hff52083_0
  - matplotlib-base=3.10.0=py310h68603db_0
  - matplotlib-inline=0.1.7=pyhd8ed1ab_1
  - mistune=3.1.1=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
  - mpmath=1.3.0=pyhd8ed1ab_1
  - munkres=1.1.4=pyh9f0ad1d_0
  - mysql-common=9.0.1=h266115a_4
  - mysql-libs=9.0.1=he0572af_4
  - narwhals=1.26.0=pyhd8ed1ab_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
  - nettle=3.9.1=h7ab15ed_0
  - networkx=3.4.2=pyh267e887_2
  - notebook=7.3.2=pyhd8ed1ab_0
  - notebook-shim=0.2.4=pyhd8ed1ab_1
  - numpy=2.2.3=py310hefbff90_0
  - openh264=2.3.1=hcb278e6_2
  - openjpeg=2.5.3=h5fbd93e_0
  - openldap=2.6.9=he970967_0
  - openssl=3.4.1=h7b32b05_0
  - overrides=7.7.0=pyhd8ed1ab_1
  - p11-kit=0.24.1=hc5aa10d_0
  - packaging=24.2=pyhd8ed1ab_2
  - pandas=2.2.2=py310hf9f9076_1
  - pandocfilters=1.5.0=pyhd8ed1ab_0
  - parso=0.8.4=pyhd8ed1ab_1
  - patsy=1.0.1=pyhd8ed1ab_1
  - pcre2=10.44=hba22ea6_2
  - pexpect=4.9.0=pyhd8ed1ab_1
  - pickleshare=0.7.5=pyhd8ed1ab_1004
  - pillow=11.1.0=py310h7e6dc6c_0
  - 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
  - plotly=6.0.0=pyhd8ed1ab_0
  - prometheus_client=0.21.1=pyhd8ed1ab_0
  - prompt-toolkit=3.0.50=pyha770c72_0
  - psutil=6.1.1=py310ha75aee5_0
  - pthread-stubs=0.4=hb9d3cd8_1002
  - ptyprocess=0.7.0=pyhd8ed1ab_1
  - pure_eval=0.2.3=pyhd8ed1ab_1
  - pycparser=2.22=pyh29332c3_1
  - pygments=2.19.1=pyhd8ed1ab_0
  - pyparsing=3.2.1=pyhd8ed1ab_0
  - pyside6=6.8.2=py310hfd10a26_0
  - pysocks=1.7.1=pyha55dd90_7
  - python=3.10.16=he725a3c_1_cpython
  - python-dateutil=2.9.0.post0=pyhff2d567_1
  - python-fastjsonschema=2.21.1=pyhd8ed1ab_0
  - python-json-logger=2.0.7=pyhd8ed1ab_0
  - python-tzdata=2025.1=pyhd8ed1ab_0
  - python_abi=3.10=5_cp310
  - pytorch=2.5.1=py3.10_cpu_0
  - pytorch-mutex=1.0=cpu
  - pytz=2025.1=pyhd8ed1ab_0
  - pyyaml=6.0.2=py310h89163eb_2
  - pyzmq=26.2.1=py310h71f11fc_0
  - qhull=2020.2=h434a139_5
  - qt6-main=6.8.2=h588cce1_0
  - readline=8.2=h8228510_1
  - referencing=0.36.2=pyh29332c3_0
  - requests=2.32.3=pyhd8ed1ab_1
  - rfc3339-validator=0.1.4=pyhd8ed1ab_1
  - rfc3986-validator=0.1.1=pyh9f0ad1d_0
  - rpds-py=0.22.3=py310h505e2c1_0
  - scipy=1.15.2=py310h1d65ade_0
  - seaborn=0.13.2=hd8ed1ab_3
  - seaborn-base=0.13.2=pyhd8ed1ab_3
  - send2trash=1.8.3=pyh0d859eb_1
  - setuptools=75.8.0=pyhff2d567_0
  - six=1.17.0=pyhd8ed1ab_0
  - sniffio=1.3.1=pyhd8ed1ab_1
  - soupsieve=2.5=pyhd8ed1ab_1
  - stack_data=0.6.3=pyhd8ed1ab_1
  - statsmodels=0.14.4=py310hf462985_0
  - svt-av1=1.4.1=hcb278e6_0
  - sympy=1.13.3=pyh2585a3b_105
  - tbb=2021.13.0=hceb3a55_1
  - terminado=0.18.1=pyh0d859eb_0
  - tinycss2=1.4.0=pyhd8ed1ab_0
  - tk=8.6.13=noxft_h4845f30_101
  - tomli=2.2.1=pyhd8ed1ab_1
  - torchaudio=2.5.1=py310_cpu
  - torchvision=0.20.1=py310_cpu
  - tornado=6.4.2=py310ha75aee5_0
  - 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
  - wayland=1.23.1=h3e06ad9_0
  - wayland-protocols=1.40=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
  - 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=1.1.2=hb9d3cd8_0
  - xorg-libsm=1.2.5=he73a12e_0
  - xorg-libx11=1.8.11=h4f16b4b_0
  - xorg-libxau=1.0.12=hb9d3cd8_0
  - xorg-libxcomposite=0.4.6=hb9d3cd8_2
  - xorg-libxcursor=1.2.3=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=0.9.12=hb9d3cd8_0
  - xorg-libxtst=1.2.5=hb9d3cd8_3
  - xorg-libxxf86vm=1.1.6=hb9d3cd8_0
  - yaml=0.2.5=h7f98852_2
  - zeromq=4.3.5=h3b0a872_7
  - zipp=3.21.0=pyhd8ed1ab_1
  - zstandard=0.23.0=py310ha39cb0e_1
  - zstd=1.5.6=ha6fb4c9_0
  - pip:
      - biopython==1.85