README.md

ESM 1v

Project Introduction

ESM-1v is a mutation prediction tool developed by Facebook AI Research in 2021, based on the ESM protein language model.

Installation & Execution for HPC Deployment

1. Build the Environment

conda env create -f environment.yml
conda activate esm1v
conda install -c conda-forge conda-pack
conda-pack -n esm1v -o esm1v.tar.gz

2. Build image from docker file

docker build -f dockerfile -t esm-1v:latest .

3. Save the Docker Image

docker save -o esm-1v.tar esm-1v:latest

4. Convert Docker Image to Singularity

singularity build esm1v_latest.sif docker-archive://esm-1v.tar

5. Submit the Job to SLURM

sbatch runhpc.sh