Public
This directory contains 5 workflows.
Pharmacelera_LigandPreparation_MultiServer
Workflow to run the molecular parameterization, with PharmScreen, remotely on a variable number of machines. - To run the workflow fill each option of the […]
Pharmacelera_Standard_VS
Workflow to perform 3D Ligand-Based Virtual Screening with PharmScreen. - To run the workflow fill each option of the Settings node, optionally is possible […]
Pharmacelera_VS_ChEMBL_Search
Workflow to perform 3D Ligand-Based Virtual Screening with PharmScreen and searching for the results on the ChEMBL Database. - To run the workflow fill […]
Pharmacelera_VS_MultiServer
Workflow to run the 3D Ligand-Based Virtual Screening, with PharmScreen, remotely on a variable number of machines. - To run the workflow fill each option […]
Pharmacelera_VS_ROCcurve
Workflow to perform 3D Ligand-Based Virtual Screening benchmark with PharmScreen. - To run the workflow fill each option of the Settings node, optionally […]