Public
This directory contains 80 workflows.
Capture_data_from_WF
Capture_data_from_WF This workflow demonstrates how to write data at defined steps of a workflow to a folder in the workflow data area (= a folder […]
CNS Multiparameter Optimization
Central Nervous System Multiparameter Optimization (CNS MPO) This workflow is based on the supplementary data given with the paper below. It includes […]
Conditional insert into a database table
Conditional insert into database table This workflow demonstrates how to do update an existing database table with new entries (while not overwriting […]
Database substructure search
This workflow demonstrates how to do substructure search on a sqlite data base. The input substructure can be given in SMILES and then modified in the […]
Detect if WF runs on Server or local
If run on the Webportal, this workflow is a simple interactive web app helping to explore potential compounds. First, the expert selects the molecular […]
filter-text-between-dates
Split rows according to whether they contain "[TS:". but as many rows contained dates also in other format that didn't bring much benefit