VFLP - VirtualFlow for Ligand Preparation

Software published at Zenodo repository.

Christoph Gorgulla, Matt Koop, Christopher Secker

Publication date: 12 July 2024

Copyright license: Creative Commons Attribution 4.0 International

Community: MATH+

VirtualFlow is a versatile, parallel workflow platform for carrying out virtual screening related tasks on Linux-based computer clusters of any type and size which are managed by a batchsystem (such as SLURM). Currently, there exist two versions of VirtualFlow, which are tailored to different types of tasks: VFLP: VirtualFlow for Ligand Preparation VFVS : VirtualFlow for Virtual Screenings They use the same core technology regarding the workflow management and parallelization, and they can be used individually or in concert with each other. Additional versions are expected to arrive in the future. Pre-built ready-to-dock ligand libraries for VFVS are available for free (in the download section).

This page was built for software: VFLP - VirtualFlow for Ligand Preparation