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add ann_dev activation
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ChunjiangZhu committed May 19, 2020
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Expand Up @@ -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

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