Tested by creating singularity image: sudo singularity build smsnet.sif algorithms/smsnet_local/container.def
and running: singularity run --nv --bind sample_data/PXD004424/mgf:/algo/data --bind ../:/scratch/antwerpen/209/vsc20960/benchmarking smsnet.sif
from the denovo_benchmarks directory
SMSNet will create temporary files and folders inside /algo/data/smsnet_temp
outputs.csv will be placed at /algo/data directory (please let us know if this should be changed)
Python libs required for both SMSNet and the benchmarks are included in algorithms/smsnet/requirements.txt
Tested by creating singularity image:
sudo singularity build smsnet.sif algorithms/smsnet_local/container.defand running:singularity run --nv --bind sample_data/PXD004424/mgf:/algo/data --bind ../:/scratch/antwerpen/209/vsc20960/benchmarking smsnet.siffrom thedenovo_benchmarksdirectorySMSNet will create temporary files and folders inside
/algo/data/smsnet_tempoutputs.csvwill be placed at/algo/datadirectory (please let us know if this should be changed)Python libs required for both SMSNet and the benchmarks are included in
algorithms/smsnet/requirements.txt