nas / PFMBench /environment.yml
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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