name: pfmbench
channels:
  - pytorch
  - nvidia
  - bioconda
  - r
  - defaults
  - conda-forge
dependencies:
  - _libgcc_mutex=0.1=conda_forge
  - _openmp_mutex=4.5=3_kmp_llvm
  - archspec=0.2.3=pyhd8ed1ab_0
  - aria2=1.37.0=hbc8128a_2
  - asttokens=2.4.1=pyhd8ed1ab_0
  - attr=2.5.1=h166bdaf_1
  - attrs=24.2.0=pyh71513ae_0
  - beautifulsoup4=4.12.3=pyha770c72_0
  - blas=1.0=openblas
  - boltons=24.0.0=pyhd8ed1ab_0
  - brotli-python=1.1.0=py311hfdbb021_2
  - bzip2=1.0.8=h4bc722e_7
  - c-ares=1.32.3=h4bc722e_0
  - ca-certificates=2025.1.31=hbcca054_0
  - certifi=2024.12.14=py311h06a4308_0
  - cffi=1.17.1=py311hf29c0ef_0
  - chardet=5.2.0=py311h38be061_2
  - charset-normalizer=3.4.0=pyhd8ed1ab_0
  - cmake=3.5.0=3
  - colorama=0.4.6=pyhd8ed1ab_0
  - conda=22.9.0=py311h38be061_2
  - conda-build=3.26.1=py311h06a4308_0
  - conda-index=0.5.0=pyhd8ed1ab_0
  - conda-package-handling=2.4.0=pyh7900ff3_0
  - conda-package-streaming=0.11.0=pyhd8ed1ab_0
  - cpp-expected=1.1.0=hdb19cb5_0
  - cryptography=44.0.1=py311hafd3f86_0
  - cuda-cudart=11.8.89=0
  - decorator=5.1.1=pyhd8ed1ab_0
  - distro=1.9.0=pyhd8ed1ab_0
  - exceptiongroup=1.2.2=pyhd8ed1ab_0
  - executing=2.1.0=pyhd8ed1ab_0
  - faiss-gpu=1.8.0=py3.11_hedc54c9_0_cuda11.4.4
  - filelock=3.16.1=pyhd8ed1ab_0
  - fmt=9.1.0=h924138e_0
  - frozendict=2.4.6=py311h9ecbd09_0
  - gawk=5.3.1=hcd3d067_0
  - glob2=0.7=py_0
  - gmp=6.3.0=hac33072_2
  - h2=4.1.0=pyhd8ed1ab_0
  - hpack=4.0.0=pyh9f0ad1d_0
  - hyperframe=6.0.1=pyhd8ed1ab_0
  - icu=73.2=h59595ed_0
  - idna=3.10=pyhd8ed1ab_0
  - importlib-metadata=8.6.1=pyha770c72_0
  - importlib_resources=6.4.5=pyhd8ed1ab_0
  - intel-openmp=2025.0.0=h06a4308_1171
  - ipython=8.29.0=pyh707e725_0
  - jedi=0.19.1=pyhd8ed1ab_0
  - jinja2=3.1.4=pyhd8ed1ab_0
  - jsonpatch=1.33=pyhd8ed1ab_0
  - jsonpointer=3.0.0=py311h38be061_1
  - jsonschema=4.23.0=pyhd8ed1ab_0
  - jsonschema-specifications=2024.10.1=pyhd8ed1ab_0
  - keyutils=1.6.1=h166bdaf_0
  - krb5=1.20.1=h81ceb04_0
  - ld_impl_linux-64=2.43=h712a8e2_2
  - libarchive=3.6.2=h039dbb9_1
  - libasprintf=0.23.1=h8e693c7_0
  - libblas=3.9.0=25_linux64_openblas
  - libcap=2.71=h39aace5_0
  - libcblas=3.9.0=25_linux64_openblas
  - libcublas=11.11.3.6=0
  - libcurl=8.1.2=h409715c_0
  - libedit=3.1.20191231=he28a2e2_2
  - libev=4.33=hd590300_2
  - libevent=2.1.12=hf998b51_1
  - libexpat=2.6.3=h5888daf_0
  - libfabric=2.1.0=ha770c72_0
  - libfabric1=2.1.0=h14e6f36_0
  - libfaiss=1.8.0=h5aaf3ed_0_cuda11.4.4
  - libffi=3.4.2=h7f98852_5
  - libgcc=14.2.0=h77fa898_1
  - libgcc-ng=14.2.0=h69a702a_1
  - libgcrypt-lib=1.11.0=hb9d3cd8_2
  - libgettextpo=0.23.1=h5888daf_0
  - libgfortran=14.2.0=h69a702a_1
  - libgfortran-ng=14.2.0=h69a702a_1
  - libgfortran5=14.2.0=hd5240d6_1
  - libgomp=14.2.0=h77fa898_1
  - libgpg-error=1.53=hbd13f7d_0
  - libhwloc=2.11.2=default_he43201b_1000
  - libiconv=1.17=hd590300_2
  - liblapack=3.9.0=25_linux64_openblas
  - liblief=0.14.1=h5888daf_2
  - liblzma=5.6.3=hb9d3cd8_1
  - liblzma-devel=5.6.3=hb9d3cd8_1
  - libmamba=1.4.9=h658169a_0
  - libmambapy=1.4.9=py311h527f279_0
  - libnghttp2=1.58.0=h47da74e_1
  - libnl=3.11.0=hb9d3cd8_0
  - libnsl=2.0.1=hd590300_0
  - libopenblas=0.3.28=pthreads_h94d23a6_0
  - libpmix=5.0.7=h658e747_0
  - libsolv=0.7.32=h7955e40_1
  - libsqlite=3.46.0=hde9e2c9_0
  - libssh2=1.11.1=hf672d98_0
  - libstdcxx=14.2.0=hc0a3c3a_1
  - libstdcxx-ng=14.2.0=h4852527_1
  - libsystemd0=256.9=h2774228_0
  - libudev1=257.4=h9a4d06a_0
  - libuuid=2.38.1=h0b41bf4_0
  - libuv=1.49.2=hb9d3cd8_0
  - libxcrypt=4.4.36=hd590300_1
  - libxml2=2.12.7=h4c95cb1_3
  - libzlib=1.3.1=hb9d3cd8_2
  - llvm-openmp=20.1.2=h024ca30_1
  - lz4-c=1.9.4=hcb278e6_0
  - lzo=2.10=hd590300_1001
  - mamba=1.4.9=py311h3072747_0
  - markupsafe=3.0.2=py311h2dc5d0c_0
  - matplotlib-inline=0.1.7=pyhd8ed1ab_0
  - menuinst=2.1.2=py311h38be061_1
  - mkl=2023.2.0=h84fe81f_50496
  - mmseqs2=17.b804f=hd6d6fdc_1
  - more-itertools=10.5.0=pyhd8ed1ab_0
  - mpfr=4.2.1=h90cbb55_3
  - mpi=1.0=openmpi
  - mpi4py=4.0.3=py311ha982e2a_0
  - ncurses=6.5=he02047a_1
  - nlohmann_json=3.11.3=he02047a_1
  - numpy=1.26.4=py311h24aa872_0
  - numpy-base=1.26.4=py311hbfb1bba_0
  - openmpi=5.0.7=hb85ec53_100
  - openssl=3.4.0=h7b32b05_1
  - packaging=24.1=pyhd8ed1ab_0
  - parso=0.8.4=pyhd8ed1ab_0
  - patch=2.7.6=h7f98852_1002
  - patchelf=0.17.2=h58526e2_0
  - pcre2=10.42=hcad00b1_0
  - pexpect=4.9.0=pyhd8ed1ab_0
  - pickleshare=0.7.5=py_1003
  - pip=24.2=pyh8b19718_1
  - pkginfo=1.11.2=pyhd8ed1ab_0
  - pkgutil-resolve-name=1.3.10=pyhd8ed1ab_1
  - platformdirs=4.3.6=pyhd8ed1ab_0
  - pluggy=1.5.0=pyhd8ed1ab_0
  - prompt-toolkit=3.0.48=pyha770c72_0
  - psutil=6.1.0=py311h9ecbd09_0
  - ptyprocess=0.7.0=pyhd3deb0d_0
  - pure_eval=0.2.3=pyhd8ed1ab_0
  - py-lief=0.14.1=py311hfdbb021_2
  - pybind11-abi=4=hd8ed1ab_3
  - pycosat=0.6.6=py311h459d7ec_0
  - pycparser=2.22=pyhd8ed1ab_0
  - pygments=2.18.0=pyhd8ed1ab_0
  - pyopenssl=25.0.0=pyhd8ed1ab_0
  - pysocks=1.7.1=pyha2e5f31_6
  - python=3.11.9=hb806964_0_cpython
  - python-libarchive-c=5.1=py311h38be061_1
  - python_abi=3.11=5_cp311
  - pytz=2024.2=pyhd8ed1ab_0
  - pyyaml=6.0.2=py311h9ecbd09_1
  - rdma-core=55.0=h5888daf_0
  - readline=8.2=h8228510_1
  - referencing=0.35.1=pyhd8ed1ab_0
  - reproc=14.2.5.post0=hb9d3cd8_0
  - reproc-cpp=14.2.5.post0=h5888daf_0
  - requests=2.32.3=pyhd8ed1ab_0
  - rhash=1.4.5=hb9d3cd8_0
  - ripgrep=14.1.1=h8fae777_0
  - rpds-py=0.20.0=py311h9e33e62_1
  - ruamel.yaml=0.18.6=py311h9ecbd09_1
  - ruamel.yaml.clib=0.2.8=py311h9ecbd09_1
  - ruamel_yaml=0.15.80=py311h459d7ec_1009
  - simdjson=3.11.6=h84d6215_0
  - six=1.16.0=pyh6c4a22f_0
  - soupsieve=2.5=pyhd8ed1ab_1
  - spdlog=1.12.0=h5743cc6_0
  - stack_data=0.6.2=pyhd8ed1ab_0
  - tbb=2021.8.0=hdb19cb5_0
  - tk=8.6.13=noxft_h4845f30_101
  - toolz=1.0.0=pyhd8ed1ab_1
  - traitlets=5.14.3=pyhd8ed1ab_0
  - truststore=0.9.2=pyhd8ed1ab_0
  - typing-extensions=4.12.2=hd8ed1ab_0
  - typing_extensions=4.12.2=pyha770c72_0
  - ucc=1.3.0=had72a48_5
  - ucx=1.18.0=hfd9a62f_3
  - urllib3=2.2.3=pyhd8ed1ab_0
  - wcwidth=0.2.13=pyhd8ed1ab_0
  - wheel=0.44.0=pyhd8ed1ab_0
  - xz=5.6.3=hbcc6ac9_1
  - xz-gpl-tools=5.6.3=hbcc6ac9_1
  - xz-tools=5.6.3=hb9d3cd8_1
  - yaml=0.2.5=h7f98852_2
  - yaml-cpp=0.7.0=h59595ed_3
  - zipp=3.20.2=pyhd8ed1ab_0
  - zlib=1.3.1=hb9d3cd8_2
  - zstandard=0.23.0=py311hbc35293_1
  - pip:
    - absl-py==2.1.0
    - accelerate==1.3.0
    - aiohappyeyeballs==2.4.6
    - aiohttp==3.11.12
    - aiosignal==1.3.2
    - annotated-types==0.7.0
    - antlr4-python3-runtime==4.9.3
    - anyio==4.8.0
    - apex
    - appdirs==1.4.4
    - astunparse==1.6.3
    - biopandas==0.5.1
    - biopython==1.85
    - bioservices==1.12.1
    - biotite==0.41.2
    - biotraj==1.2.2
    - braceexpand==0.1.7
    - cattrs==24.1.3
    - click==8.1.8
    - cloudpathlib==0.20.0
    - colorlog==6.9.0
    - contourpy==1.3.1
    - cpdb-protein==0.2.0
    - cycler==0.12.1
    - cython==3.0.12
    - debugpy==1.8.12
    - deepdiff==8.4.2
    - deepspeed==0.16.3
    - dnspython==2.7.0
    - docker-pycreds==0.4.0
    - docstring-parser==0.16
    - easydev==0.13.3
    - einops==0.8.0
    - expecttest==0.2.1
    - flatbuffers==25.2.10
    - fonttools==4.57.0
    - frozenlist==1.5.0
    - fsspec==2024.10.0
    - gast==0.6.0
    - gemmi==0.7.1
    - gevent==24.11.1
    - gitdb==4.0.12
    - gitpython==3.1.44
    - google-pasta==0.2.0
    - graphein==1.7.7
    - greenlet==3.2.0
    - grequests==0.7.0
    - grpcio==1.70.0
    - h11==0.14.0
    - h5py==3.13.0
    - hjson==3.1.0
    - httpcore==1.0.7
    - httpx==0.28.1
    - huggingface-hub==0.28.0
    - hydra-core==1.3.2
    - hypothesis==6.115.5
    - iopath==0.1.10
    - jaxtyping==0.3.1
    - jiter==0.8.2
    - joblib==1.4.2
    - keras==3.9.2
    - kiwisolver==1.4.8
    - libclang==18.1.1
    - lightning==2.5.0.post0
    - lightning-utilities==0.12.0
    - line-profiler==4.2.0
    - lintrunner==0.12.5
    - lmdb==1.6.2
    - loguru==0.7.3
    - looseversion==1.1.2
    - lxml==5.3.2
    - markdown==3.7
    - markdown-it-py==3.0.0
    - matplotlib==3.10.1
    - mc-bin-client==1.0.1
    - mdurl==0.1.2
    - megatron-core==0.2.0
    - mini3di==0.2.1
    - ml-dtypes==0.5.1
    - mmtf-python==1.1.3
    - mpmath==1.3.0
    - msgpack==1.1.0
    - msgpack-numpy==0.4.8
    - multidict==6.1.0
    - multipledispatch==1.0.0
    - mypy-extensions==1.0.0
    - namex==0.0.8
    - narwhals==1.35.0
    - networkx==3.4.2
    - ninja==1.11.1.1
    - nvidia-cublas-cu12==12.1.3.1
    - nvidia-cuda-cupti-cu12==12.1.105
    - nvidia-cuda-nvrtc-cu12==12.1.105
    - nvidia-cuda-runtime-cu12==12.1.105
    - nvidia-cudnn-cu12==9.1.0.70
    - nvidia-cufft-cu12==11.0.2.54
    - nvidia-curand-cu12==10.3.2.106
    - nvidia-cusolver-cu12==11.4.5.107
    - nvidia-cusparse-cu12==12.1.0.106
    - nvidia-ml-py==12.570.86
    - nvidia-nccl-cu12==2.21.5
    - nvidia-nvjitlink-cu12==12.1.105
    - nvidia-nvtx-cu12==12.1.105
    - omegaconf==2.3.0
    - openai==1.64.0
    - opt-einsum==3.4.0
    - optree==0.13.0
    - orderly-set==5.4.0
    - pandas==2.2.3
    - peft==0.14.0
    - pillow==10.2.0
    - plotly==6.0.1
    - portalocker==3.1.1
    - propcache==0.2.1
    - protobuf==5.29.3
    - py-cpuinfo==9.0.0
    - pybind11==2.14.0.dev1
    - pydantic==2.10.6
    - pydantic-core==2.27.2
    - pyparsing==3.2.1
    - python-dateutil==2.9.0.post0
    - python-etcd==0.4.5
    - pytorch-lightning==2.5.0.post0
    - rdkit==2024.9.6
    - rdkit-pypi==2022.9.5
    - regex==2024.11.6
    - requests-cache==1.2.1
    - rich==14.0.0
    - rich-click==1.8.8
    - safetensors==0.5.2
    - scikit-learn==1.6.1
    - scipy==1.15.1
    - seaborn==0.13.2
    - sentencepiece==0.2.0
    - sentry-sdk==2.20.0
    - setproctitle==1.3.4
    - setuptools==72.1.0
    - smmap==5.0.2
    - sniffio==1.3.1
    - sortedcontainers==2.4.0
    - suds-community==1.2.0
    - sympy==1.13.1
    - tenacity==9.1.2
    - tensorboard==2.19.0
    - tensorboard-data-server==0.7.2
    - tensorflow==2.19.0
    - tensorflow-io-gcs-filesystem==0.37.1
    - termcolor==3.0.1
    - tf-keras==2.19.0
    - threadpoolctl==3.5.0
    - timm==1.0.15
    - tokenizers==0.21.0
    - torch==2.5.1
    - torchaudio==2.5.1
    - torchelastic==0.2.2
    - torchmetrics==1.6.1
    - torchvision==0.20.1
    - tqdm==4.67.1
    - transformers==4.48.1
    - triton==3.1.0
    - typed-argument-parser==1.10.1
    - types-dataclasses==0.6.6
    - typing-inspect==0.9.0
    - tzdata==2025.1
    - url-normalize==2.2.0
    - vplm==0.0.1
    - wadler-lindig==0.1.5
    - wandb==0.19.5
    - webdataset==0.2.111
    - werkzeug==3.1.3
    - wget==3.2
    - wrapt==1.17.2
    - xarray==2025.3.1
    - xmltodict==0.14.2
    - yarl==1.18.3
    - zope-event==5.0
    - zope-interface==7.2
    - zstd==1.5.6.6
prefix: /opt/conda