Statement on Code and Agent Technology

Third-Party & Open-Source Libraries Used

For the development of the Open Cheminformatics Agent we incorporate components from open-source cheminformatics tools:

• RDKit, licensed under the BSD 3-Clause License, for cheminformatics and machine learning applications.
• CACTUS (Chemistry Agent Connecting Tool-Usage to Science), described in McNaughton et al., 2024 [arXiv:2405.00972], licensed under the BSD 2-Clause „Simplified“ License.
• ChemCrow, from Bran et al., 2023 [arXiv:2304.05376], is included under the MIT License.
• MDCrow: Automating Molecular Dynamics Workflows with Large Language Models, Campbell, Q., Cox, S., Medina, J., Watterson, B., & White, A. D. (2025). arXiv:2502.09565 [cs.AI]. MIT License.

We do utilize widely recognized open-source libraries – such as Dash – to power specific functionalities, uphold best practices, and enhance the overall reliability of our platform.