YB_Mol Studio: an agent-integrated visual editing platform for molecular and materials design
- 1Hangzhou Yanbo Mole Technology Co., Ltd.
- 2Shanghai Advanced Research Institute, Chinese Academy of Sciences, 100 Haike Road, Shanghai, China, 201210
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.
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BibTeX
@misc{zhao2026ybmol,
title = {{YB_Mol Studio: an agent-integrated visual editing platform for molecular and materials design}},
author = {Yanbo Zhao and Shuai Zhang and Shenggang Li and Zezhong Miao and Haijiao Fu and Miaomiao Wang and YanBo Zhao},
howpublished = {ChemRxiv},
year = {2026},
month = oct,
doi = {10.26434/chemrxiv.15010106/v1},
url = {https://chemrxiv.org/doi/full/10.26434/chemrxiv.15010106/v1},
note = {CC BY},
}
RIS
TY - UNPB
TI - YB_Mol Studio: an agent-integrated visual editing platform for molecular and materials design
AU - Yanbo Zhao
AU - Shuai Zhang
AU - Shenggang Li
AU - Zezhong Miao
AU - Haijiao Fu
AU - Miaomiao Wang
AU - YanBo Zhao
PY - 2026
DA - 2026/10/08
PB - ChemRxiv
DO - 10.26434/chemrxiv.15010106/v1
UR - https://chemrxiv.org/doi/full/10.26434/chemrxiv.15010106/v1
AB - 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.
ER -