mirror of
https://github.com/aqlaboratory/openfold.git
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41 lines
644 B
YAML
41 lines
644 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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- nvidia
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dependencies:
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- cuda
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- gcc=12.4
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- python=3.10
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- setuptools=59.5.0
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- pip
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- openmm
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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
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- requests
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- scipy
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- tqdm
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- typing-extensions
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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
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- git
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- bioconda::hmmer
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- bioconda::hhsuite
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- bioconda::kalign2
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- pytorch::pytorch=2.5
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- pytorch::pytorch-cuda=12.4
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- pip:
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- deepspeed==0.14.5
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- dm-tree==0.1.6
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- git+https://github.com/NVIDIA/dllogger.git
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- flash-attn
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