fig1

Figure 1. Developmental stages of AI agents for MOFs and COFs, progressing from LLM-native assistance to database-grounded tool use and experiment-integrated feedback-driven discovery. Insets show representative workflows and systems discussed in this review. In Stage 1, the upper panel is reprinted with permission from reference^[13]. Copyright © 2023 Wiley-VCH GmbH. The lower panel is reproduced from reference^[14], under the CC BY 4.0 license. In Stage 2, the upper-left panel is reprinted from reference^[15], under the CC BY 4.0 license, and the upper-right panel is reprinted with permission from reference^[16]. Copyright © 2025 American Chemical Society. The Eunomia robot illustration is adapted from reference^[17], under the CC BY 4.0 Unported license. In the lower half of Stage 2, the left image in the representative systems section is reprinted with permission from reference^[18]. Copyright © 2025 American Chemical Society. The ChatMOF robot illustration on the right is adapted from reference^[19], licensed under CC BY 4.0. In Stage 3, the illustration is adapted with permission from reference^[20]. Copyright © 2026 American Chemical Society. MOFs: Metal-organic frameworks; COFs: covalent organic frameworks; AI: artificial intelligence; LLM: large language model.