diff --git a/README.md b/README.md index 9ee284f..b982b98 100644 --- a/README.md +++ b/README.md @@ -110,7 +110,11 @@ Command Examples (for Singularity only): conda create -c rdkit -n ann_env rdkit python=3.5.2 + source activate ann_dev + pip install -r singularity-install/requirements.txt + + source deactivate ann_dev 3. Run your algorithm scripts by SLURM shell