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Unable to run alphafold3 singularity #353

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Dyost99 opened this issue Mar 14, 2025 · 2 comments
Closed

Unable to run alphafold3 singularity #353

Dyost99 opened this issue Mar 14, 2025 · 2 comments
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setup Problem with installation or setting things up

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@Dyost99
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Dyost99 commented Mar 14, 2025

Hello, I am unable to run alphafold3 through apptainer (singularity), the .sif container has been successfully created, and I've tried writing a bash script (af3.sh) to run alphafold3 through due to how my university's computing cluster is set up, I've defined the public database, input, output, and models folders outside of the alphafold3 repository, regardless of how I try to fix it I keep getting the following error:

"from alphafold3.model.components import base_model
ImportError: cannot import name 'base_model' from 'alphafold3.model.components' (unknown location)"

I've added the directory tree below for the alphafold3 repository, the input, output, models, and the public database are in a separate folder (Alphafold3_setup) at the same level as the alphafold3 repository, how can I fix this error, thank you for the help?

alphafold3
├── alphafold3.sif
├── CMakeLists.txt
├── docker
│   ├── Dockerfile
│   └── dockerignore
├── docs
│   ├── contributing.md
│   ├── header.jpg
│   ├── input.md
│   ├── installation.md
│   ├── known_issues.md
│   ├── output.md
│   └── performance.md
├── errors_29501564.err
├── errors_29501566.err
├── fetch_databases.sh
├── LICENSE
├── output_29501564.out
├── output_29501566.out
├── pyproject.toml
├── README.md
├── requirements.txt
├── run_af3.sh
├── run_af3_test.sh
├── run_alphafold.py
├── run_alphafold_test.py
├── src
│   └── alphafold3
│       ├── base_model.py
│       ├── build_data.py
│       ├── common
│       ├── constants
│       ├── cpp.cc
│       ├── data
│       ├── __init__.py
│       ├── jax
│       ├── model
│       ├── parsers
│       ├── __pycache__
│       ├── scripts
│       ├── structure
│       ├── test_data
│       └── version.py
├── WEIGHTS_PROHIBITED_USE_POLICY.md
└── WEIGHTS_TERMS_OF_USE.md
@Augustin-Zidek Augustin-Zidek added the setup Problem with installation or setting things up label Mar 17, 2025
@Augustin-Zidek
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It looks like you are either missing some files, didn't build the Singularity container, or missed some of the setup steps like running build_data.

Similar issue was also reported in #314. Could you take a look?

@Augustin-Zidek
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Closing this issue for lack of activity. Feel free to re-open or comment if this is still a problem.

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