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environment.yml
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environment.yml
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name: openfold-env
channels:
- conda-forge
- bioconda
- pytorch
dependencies:
- python=3.9
- libgcc=7.2
- setuptools=59.5.0
- pip
- openmm=7.7
- pdbfixer
- pytorch-lightning
- biopython
- numpy
- pandas
- PyYAML==5.4.1
- requests
- scipy==1.7
- tqdm==4.62.2
- typing-extensions==4.0
- wandb
- modelcif==0.7
- awscli
- ml-collections
- aria2
- mkl=2024.0
- git
- bioconda::hmmer==3.3.2
- bioconda::hhsuite==3.3.0
- bioconda::kalign2==2.04
- bioconda::mmseqs2
- pytorch::pytorch=1.12.*
- pip:
- deepspeed==0.12.4
- dm-tree==0.1.6
- git+https://github.com/NVIDIA/dllogger.git
- git+https://github.com/Dao-AILab/flash-attention.git@5b838a8