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hdpy_env_release.yml
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name: hdpy_release_env
channels:
- conda-forge
- omnia
- nvidia
- pytorch
- rdkit
- defaults
dependencies:
- _libgcc_mutex=0.1
- _openmp_mutex=4.5
- blas=1.0
- boost=1.74.0
- boost-cpp=1.74.0
- brotli=1.1.0
- brotli-bin=1.1.0
- brotli-python=1.1.0
- bzip2=1.0.8
- c-ares=1.26.0
- ca-certificates=2023.11.17
- cached-property=1.5.2
- cached_property=1.5.2
- cairo=1.16.0
- certifi=2023.11.17
- chardet=5.2.0
- charset-normalizer=3.3.2
- colorama=0.4.6
- contourpy=1.2.0
- cuda-cudart=12.1.105
- cuda-cudart_linux-64=12.1.105
- cuda-cupti=12.1.105
- cuda-libraries=12.1.0
- cuda-nvrtc=12.1.105
- cuda-nvtx=12.1.105
- cuda-opencl=12.1.105
- cuda-runtime=12.1.0
- cuda-version=12.1
- cycler=0.12.1
- expat=2.5.0
- ffmpeg=4.3
- filelock=3.13.1
- font-ttf-dejavu-sans-mono=2.37
- font-ttf-inconsolata=3.000
- font-ttf-source-code-pro=2.038
- font-ttf-ubuntu=0.83
- fontconfig=2.14.2
- fonts-conda-ecosystem=1
- fonts-conda-forge=1
- fonttools=4.47.2
- freetype=2.12.1
- freetype-py=2.3.0
- fsspec=2023.12.2
- gettext=0.21.1
- gmp=6.3.0
- gmpy2=2.1.2
- gnutls=3.6.15
- greenlet=3.0.3
- h5py=3.10.0
- hdf5=1.14.3
- icu=69.1
- idna=3.6
- importlib-resources=6.1.1
- importlib_resources=6.1.1
- intel-openmp=2023.1.0
- jinja2=3.1.3
- joblib=1.3.2
- keyutils=1.6.1
- kiwisolver=1.4.5
- krb5=1.21.2
- lame=3.100
- lcms2=2.16
- ld_impl_linux-64=2.40
- lerc=4.0.0
- libabseil=20230802.1
- libaec=1.1.2
- libblas=3.9.0
- libbrotlicommon=1.1.0
- libbrotlidec=1.1.0
- libbrotlienc=1.1.0
- libcblas=3.9.0
- libcublas=12.1.0.26
- libcufft=11.0.2.4
- libcufile=1.6.1.9
- libcurand=10.3.2.106
- libcurl=8.5.0
- libcusolver=11.4.4.55
- libcusparse=12.0.2.55
- libdeflate=1.19
- libedit=3.1.20191231
- libev=4.33
- libexpat=2.5.0
- libffi=3.4.2
- libgcc-ng=13.2.0
- libgfortran-ng=13.2.0
- libgfortran5=13.2.0
- libglib=2.78.3
- libiconv=1.17
- libidn2=2.3.7
- libjpeg-turbo=3.0.0
- liblapack=3.9.0
- libnghttp2=1.58.0
- libnpp=12.0.2.50
- libnsl=2.0.1
- libnvjitlink=12.1.105
- libnvjpeg=12.1.1.14
- libopenblas=0.3.26
- libpng=1.6.39
- libprotobuf=4.24.4
- libsqlite=3.44.2
- libssh2=1.11.0
- libstdcxx-ng=13.2.0
- libtasn1=4.19.0
- libtiff=4.6.0
- libunistring=0.9.10
- libuuid=2.38.1
- libuv=1.46.0
- libwebp-base=1.3.2
- libxcb=1.15
- libxcrypt=4.4.36
- libzlib=1.2.13
- lightning-utilities=0.10.1
- llvm-openmp=14.0.6
- markupsafe=2.1.4
- matplotlib-base=3.8.2
- mkl=2023.1.0
- mkl-service=2.4.0
- mpc=1.3.1
- mpfr=4.2.1
- mpmath=1.3.0
- munkres=1.1.4
- ncurses=6.4
- nettle=3.7.3
- networkx=3.2.1
- ocl-icd=2.3.1
- openblas=0.3.26
- openh264=2.1.1
- openjpeg=2.5.0
- openssl=3.2.1
- packaging=23.2
- pandas=2.2.0
- pcre2=10.42
- pillow=10.2.0
- pip=23.3.2
- pixman=0.43.2
- pthread-stubs=0.4
- pycairo=1.25.0
- pyparsing=3.1.1
- pysocks=1.7.1
- python=3.9.18
- python-dateutil=2.8.2
- python-tzdata=2023.4
- python_abi=3.9
- pytorch=2.2.0
- pytorch-cuda=12.1
- pytorch-mutex=1.0
- pytz=2023.4
- pyyaml=6.0.1
- readline=8.2
- reportlab=4.0.9
- requests=2.31.0
- rlpycairo=0.2.0
- scikit-learn=1.4.0
- setuptools=69.0.3
- six=1.16.0
- sleef=3.5.1
- sqlalchemy=2.0.25
- sympy=1.12
- tbb=2021.8.0
- threadpoolctl=3.2.0
- tk=8.6.13
- torchaudio=2.2.0
- torchmetrics=1.2.1
- torchtriton=2.2.0
- torchvision=0.17.0
- tqdm=4.66.1
- typing-extensions=4.9.0
- typing_extensions=4.9.0
- tzdata=2023d
- unicodedata2=15.1.0
- urllib3=2.2.0
- wheel=0.42.0
- xorg-kbproto=1.0.7
- xorg-libice=1.1.1
- xorg-libsm=1.2.4
- xorg-libx11=1.7.2
- xorg-libxau=1.0.11
- xorg-libxdmcp=1.1.3
- xorg-libxext=1.3.4
- xorg-libxrender=0.9.10
- xorg-renderproto=0.11.1
- xorg-xextproto=7.3.0
- xorg-xproto=7.0.31
- xz=5.2.6
- yaml=0.2.5
- zipp=3.17.0
- zlib=1.2.13
- zstd=1.5.5
- pip:
- absl-py==2.1.0
- aiohttp==3.9.3
- aiohttp-cors==0.7.0
- aiosignal==1.3.1
- annotated-types==0.6.0
- astunparse==1.6.3
- async-timeout==4.0.3
- attrs==23.2.0
- blessed==1.20.0
- cachetools==5.3.2
- click==8.1.7
- colorful==0.5.6
- deepchem==2.7.2.dev20240129200449
- distlib==0.3.8
- fastprogress==1.0.3
- flatbuffers==23.5.26
- frozenlist==1.4.1
- gast==0.5.4
- gensim==4.3.2
- google-api-core==2.16.1
- google-auth==2.27.0
- google-auth-oauthlib==1.2.0
- google-pasta==0.2.0
- googleapis-common-protos==1.62.0
- gpustat==1.1.1
- grpcio==1.60.0
- importlib-metadata==7.0.1
- jsonschema==4.21.1
- jsonschema-specifications==2023.12.1
- keras==2.15.0
- libclang==16.0.6
- markdown==3.5.2
- ml-dtypes==0.2.0
- msgpack==1.0.7
- multidict==6.0.4
- numpy==1.24.4
- nvidia-ml-py==12.535.133
- oauthlib==3.2.2
- opencensus==0.11.4
- opencensus-context==0.1.3
- opt-einsum==3.3.0
- platformdirs==4.2.0
- prometheus-client==0.19.0
- protobuf==4.23.4
- psutil==5.9.8
- py-spy==0.3.14
- pyarrow==15.0.0
- pyasn1==0.5.1
- pyasn1-modules==0.3.0
- pydantic==2.6.0
- pydantic-core==2.16.1
- ray==2.7.0rc0
- rdkit==2023.9.4
- referencing==0.33.0
- requests-oauthlib==1.3.1
- rpds-py==0.17.1
- rsa==4.9
- scipy==1.12.0
- selfies==2.1.1
- smart-open==6.4.0
- smilespe==0.0.3
- tensorboard==2.15.1
- tensorboard-data-server==0.7.2
- tensorboardx==2.6.2.2
- tensorflow==2.15.0.post1
- tensorflow-estimator==2.15.0
- tensorflow-io-gcs-filesystem==0.35.0
- termcolor==2.4.0
- virtualenv==20.25.0
- wcwidth==0.2.13
- werkzeug==3.0.1
- wrapt==1.14.1
- yarl==1.9.4