CChemRxiv11d ago

VERA: A Visual Node-Based Workflow Platform for Integrated Computational Chemistry and Bioinformatics

VERA (Virtual Execution and Reaction Architecture) is an open-source, extensible, desktopnative visual workflow platform engineered for computational chemistry, molecular modeling, and bioinformatics research. VERA addresses the persistent and well-documented challenge of integrating heterogeneous scientific tools, including molecular docking engines (AutoDock Vina CPU/GPU), molecular dynamics simulators (GROMACS), cheminformatics libraries (RDKit, OpenBabel), machine learning frameworks (scikit