Icolos: a workflow manager for structure-based post-processing of de novo generated small molecules
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DOI: 10.26434/chemrxiv-2022-sjcp3
Abstract: SUMMARY We present Icolos, a workflow manager written in Python as a tool for automating complex structure-based workflows for drug design. Icolos can be used as a standalone tool, for example in virtual screening campaigns,… read more here.
Keywords: novo; workflow manager; structure; icolos workflow ... See more keywords