README.md

AlphaFold Singularity Container

This repo provides definition files to build a singularity container of AlphaFold v2 (https://github.com/deepmind/alphafold).

Build instructions from non-docker setting by kalininalab were used.

Build container

# build base container
singularity build --fakeroot base.sif base.def

# build alphafold container
singularity build --fakeroot alphafold.sif alphafold.def

Run Alphafold

singularity exec --nv -B <DATA_DIR> alphafold.sif bash
source /opt/miniconda3/etc/profile.d/conda.sh
conda activate alphafold
cd /opt/alphafold/
./run.sh -d <DATA_DIR>  -o <OUTPUT_DIR> -m model_1 -f <SEQUENCE_FILE> -t 2020-05-14