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Table 1 Summary of workflow resource usage

From: Galaxy workflows for fragment-based virtual screening: a case study on the SARS-CoV-2 main protease

Workflow CPU time / h GPU time / h Data storage / GB Number of executions Datasets created
Docking and scoring 3000 1 80 22 6000
MMGBSA 30 2 3 209 893
dcTMD 112 14 6 50 1726
  1. Values for resource usage are approximate and can vary substantially between workflow invocations