diff --git a/README.md b/README.md index e69de29bb2d1d6434b8b29ae775ad8c2e48c5391..ad7cd385df4a37d61449230d506644803901d0f4 100644 --- a/README.md +++ b/README.md @@ -0,0 +1,26 @@ +# Using this container on Cheaha + +You will need to follow these instructions: + +1. If you already cloned the Alphafold3 [github repo](https://github.com/google-deepmind/alphafold3), you do not need to clone this repo. But if you have not, you can clone this gitlab repo. +1. Download the needed databases for Alphafold3 by running the command. Make sure you are in the same folder as the `fetch_databases.sh` file before running the below command, or use the absolute file path to run it. + + ``` bash + + ./fetch_databases.sh <DB_DIR> #<DB_DIR> is your preferred location for storing the databases + + ``` +1. Now pull the container with singularity using + + ``` bash + + singularity pull alphafold3.sif docker://gitlab.rc.uab.edu/rc-data-science/community-containers/Alphafold3/ + + ``` +1. When the above step is completed, you can now run the Alphafold3 container on Cheaha using the command to test it out. + + ``` bash + + singularity exec --nv alphafold3.sif sh -c 'nvidia-smi' + + ``` \ No newline at end of file