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Create environment.yml
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Zuricho authored Feb 25, 2024
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name: parafold
channels:
- bioconda
- conda-forge
- nvidia/label/cuda-11.3.1
- defaults
dependencies:
- _libgcc_mutex=0.1=main
- _openmp_mutex=5.1=1_gnu
- blas=1.0=openblas
- ca-certificates=2023.01.10=h06a4308_0
- certifi=2023.5.7=py38h06a4308_0
- cuda-nvcc=11.3.122=h4814707_0
- cudatoolkit=11.3.1=h2bc3f7f_2
- cudnn=8.2.1=cuda11.3_0
- fftw=3.3.10=nompi_h77c792f_102
- hhsuite=3.3.0=py38pl5321h8ded8fe_5
- hmmer=3.3.2=h87f3376_2
- kalign2=2.04=hec16e2b_3
- ld_impl_linux-64=2.38=h1181459_1
- libblas=3.9.0=15_linux64_openblas
- libcblas=3.9.0=15_linux64_openblas
- libffi=3.4.2=h6a678d5_6
- libgcc-ng=11.2.0=h1234567_1
- libgfortran-ng=12.2.0=h69a702a_19
- libgfortran5=12.2.0=h337968e_19
- libgomp=11.2.0=h1234567_1
- liblapack=3.9.0=15_linux64_openblas
- libnsl=2.0.0=h5eee18b_0
- libopenblas=0.3.20=pthreads_h78a6416_0
- libstdcxx-ng=11.2.0=h1234567_1
- ncurses=6.4=h6a678d5_0
- numpy-base=1.24.3=py38h1e6e340_0
- ocl-icd=2.3.1=h7f98852_0
- ocl-icd-system=1.0.0=1
- openmm=7.7.0=py38h4b4c9af_1
- openssl=1.1.1t=h7f8727e_0
- pdbfixer=1.8.1=pyh6c4a22f_0
- perl=5.32.1=0_h5eee18b_perl5
- pip=22.3.1=py38h06a4308_0
- python=3.8.16=h7a1cb2a_2
- python_abi=3.8=2_cp38
- readline=8.2=h5eee18b_0
- setuptools=65.6.3=py38h06a4308_0
- sqlite=3.40.1=h5082296_0
- tk=8.6.12=h1ccaba5_0
- wheel=0.37.1=pyhd3eb1b0_0
- xz=5.2.10=h5eee18b_1
- zlib=1.2.13=h5eee18b_0
- pip:
- absl-py==1.0.0
- astunparse==1.6.3
- biopython==1.79
- cachetools==5.3.0
- charset-normalizer==3.0.1
- chex==0.0.7
- contextlib2==21.6.0
- dm-haiku==0.0.9
- dm-tree==0.1.6
- flatbuffers==23.1.21
- gast==0.4.0
- google-auth==2.16.0
- google-auth-oauthlib==0.4.6
- google-pasta==0.2.0
- grpcio==1.51.1
- h5py==3.8.0
- idna==3.4
- immutabledict==2.0.0
- importlib-metadata==6.0.0
- jax==0.3.25
- jaxlib==0.3.25+cuda11.cudnn82
- jmp==0.0.4
- keras==2.11.0
- libclang==15.0.6.1
- markdown==3.4.1
- markupsafe==2.1.2
- ml-collections==0.1.0
- numpy==1.21.6
- oauthlib==3.2.2
- opt-einsum==3.3.0
- packaging==23.0
- pandas==1.3.4
- protobuf==3.19.6
- py3dmol==2.0.1.post1
- pyasn1==0.4.8
- pyasn1-modules==0.2.8
- python-dateutil==2.8.2
- pytz==2022.7.1
- pyyaml==6.0
- requests==2.28.2
- requests-oauthlib==1.3.1
- rsa==4.9
- scipy==1.7.0
- six==1.16.0
- tabulate==0.9.0
- tensorboard==2.11.2
- tensorboard-data-server==0.6.1
- tensorboard-plugin-wit==1.8.1
- tensorflow-cpu==2.11.0
- tensorflow-estimator==2.11.0
- tensorflow-io-gcs-filesystem==0.30.0
- termcolor==2.2.0
- toolz==0.12.0
- typing-extensions==4.5.0
- urllib3==1.26.14
- werkzeug==2.2.3
- wrapt==1.14.1
- zipp==3.13.0

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