DrugBud-Suite / DockM8

All in one Structure-Based Virtual Screening workflow based on the concept of consensus docking.
https://drugbud-suite.github.io/dockm8-web/
GNU General Public License v3.0
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Fix library preparation missing compounds #35

Closed Tonylac77 closed 6 months ago

Tonylac77 commented 6 months ago

Some compounds are dropped during either protonation or conf generation, investigate and generate conformers alternatively if one of the two methods fail Ensure prepared library is the same length as input