prehensilecode / alphafold_singularity

Singularity recipe for AlphaFold
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alphafold 2.3.2 could not locate params directory #33

Closed artcmd closed 1 year ago

artcmd commented 1 year ago

Hello! I tried the new version: alphafold_singularity 2.3.2-1 with AlphaFold 2.3.2.

AlphaFold 2.3.2 was cloned from github.com/deepmind/alphafold/tree/v2.3.2.

alphafold_2.3.2-1.sif was pulled from cloud.sylabs.io/library/prehensilecode/alphafold_singularity/alphafold and put in the directory alphafold-2.3.2/singularity.

All the database files are located in alphafold_data.

Here is my script:

module load singularity/3.8.3
module load cudatoolkit/11.7
export ALPHAFOLD_VERSION=2.3.2
cd ~/alphafold/alphafold-2.3.2
python singularity/run_singularity.py \
  --fasta_paths=P0DV34.fasta \
  --output_dir=~/monomer \
  --data_dir=~/alphafold_data \
  --max_template_date=2022-01-01 \
  --model_preset=monomer \
  --db_preset=full_dbs

The error message I got: Traceback (most recent call last): File "/app/alphafold/run_alphafold.py", line 468, in app.run(main) File "/opt/conda/lib/python3.8/site-packages/absl/app.py", line 312, in run _run_main(main, args) File "/opt/conda/lib/python3.8/site-packages/absl/app.py", line 258, in _run_main sys.exit(main(argv)) File "/app/alphafold/run_alphafold.py", line 418, in main model_params = data.get_model_haiku_params( File "/app/alphafold/alphafold/model/data.py", line 30, in get_model_haiku_params with open(path, 'rb') as f: FileNotFoundError: [Errno 2] No such file or directory: '/mnt/data_dir/params/params_model_1.npz

erdaqorri commented 1 year ago

Hi! It seems like the params folder is not located in your Alphafold_data folder (which I assume contains all the databases). Check if the params dir is present in your alphafold_data folder, and if not move it there.

prehensilecode commented 1 year ago

@artcmd Please follow the instructions from AlphaFold for downloading the data needed to run AlphaFold: https://github.com/deepmind/alphafold i.e. using the scripts/download_all_data.sh script.