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Update singularity instructions (thanks davidecarlson!)

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PiperOrigin-RevId: 695790186
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mlbileschi
2024-11-12 18:39:19 +00:00
parent 0341fb7f24
commit e07682c064
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docs/installation.md
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@ -321,7 +321,7 @@ docker push localhost:5000/alphafold3
Then build the Singularity container:
```sh
SINGULARITY_NOHTTPS=1 singularity build alphafold3.simg docker://localhost:5000/alphafold3:latest
SINGULARITY_NOHTTPS=1 singularity build alphafold3.sif docker://localhost:5000/alphafold3:latest
```
You can confirm your build by starting a shell and inspecting the environment.
@ -329,24 +329,25 @@ For example, you may want to ensure the Singularity image can access your GPU.
You may want to restart your computer if you have issues with this.
```sh
singularity exec --nv alphafold3.simg sh -c 'nvidia-smi'
singularity exec --nv alphafold3.sif sh -c 'nvidia-smi'
```
You can now run AlphaFold 3!
```sh
singularity exec --nv alphafold3.simg <<args>>
singularity exec --nv alphafold3.sif <<args>>
```
For example:
```sh
singularity exec \
--nv alphafold3.simg \
--nv \
--bind $HOME/af_input:/root/af_input \
--bind $HOME/af_output:/root/af_output \
--bind <MODEL_PARAMETERS_DIR>:/root/models \
--bind <DATABASES_DIR>:/root/public_databases \
alphafold3.sif \
python alphafold3/run_alphafold.py \
--json_path=/root/af_input/fold_input.json \
--model_dir=/root/models \