YB_Mol Studio: an agent-integrated visual editing platform for molecular and materials design
Year: 2026
Type: preprint
Abstract: Molecular and materials design requires researchers to inspect structures, edit molecular objects and connect each change to computation. Artificial intelligence (AI) agents add another operating mode: they need executable molecular operations, visible intermediate states and a way to continue from prior results. Here we present YB_Mol Studio, an agent-integrated visual editing platform for molecular and materials design. Its molecular design core, yb_mol, represents atoms, bonds, coordinates, structural hierarchy and periodic information in editable molecular objects. Studio connects this core to direct visual editing, YB_Agent execution, a persistent Live workspace and local or remote scientific computation. Researchers can select and modify structures through the interface, inspect resulting states and continue a design manually or with the agent. YB_Agent can execute molecular operations through yb_mol, use specialist prediction or evaluation methods and publish results back into the same workspace. Molecular-object comparisons and operation benchmarks characterize the platform foundation, while three application workspaces exercise it on biomolecular and periodic-material workloads. YB_Mol Studio links human judgment, interactive visualization, agent execution and computational feedback in one continuing design environment.
Source: ChemRxiv
Language: English
Subfield: Materials Chemistry
Field: Materials Science
Domain: Physical Sciences
Open Access status: green
OpenAlex ID: W7221004742