mirror of
https://github.com/aqlaboratory/openfold.git
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32 lines
755 B
YAML
32 lines
755 B
YAML
name: openfold_venv
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channels:
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- conda-forge
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- bioconda
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- pytorch
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- nvidia
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dependencies:
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- pip:
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- biopython==1.79
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- deepspeed==0.5.9
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- dm-tree==0.1.6
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- ml-collections==0.1.0
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- numpy==1.21.2
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- PyYAML==5.4.1
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- requests==2.26.0
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- scipy==1.7.1
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- tqdm==4.62.2
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- typing-extensions==3.10.0.2
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- pytorch_lightning==1.5.10
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- git+https://github.com/NVIDIA/dllogger.git
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- pytorch::pytorch
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- pytorch::pytorch-cuda=11.7.*
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- conda-forge::python=3.7
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- conda-forge::setuptools=59.5.0
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- conda-forge::pip
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- conda-forge::openmm=7.5.1
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- conda-forge::pdbfixer
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- conda-forge::cudatoolkit==11.7.*
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- bioconda::hmmer==3.3.2
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- bioconda::hhsuite==3.3.0
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- bioconda::kalign2==2.04
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