mirror of
https://github.com/aqlaboratory/openfold.git
synced 2026-06-04 12:44:26 +08:00
39 lines
723 B
YAML
39 lines
723 B
YAML
name: openfold-env
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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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dependencies:
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- python=3.9
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- libgcc=7.2
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- setuptools=59.5.0
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- pip
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- openmm=7.7
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- pdbfixer
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- pytorch-lightning
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- biopython
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- numpy
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- pandas
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- PyYAML==5.4.1
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- requests
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- scipy==1.7
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- tqdm==4.62.2
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- typing-extensions==4.0
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- wandb
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- modelcif==0.7
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- awscli
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- ml-collections
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- aria2
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- mkl=2024.0
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- git
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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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- bioconda::mmseqs2
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- pytorch::pytorch=1.12.*
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- pip:
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- deepspeed==0.12.4
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- dm-tree==0.1.6
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- git+https://github.com/NVIDIA/dllogger.git
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- git+https://github.com/Dao-AILab/flash-attention.git@5b838a8
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