NOTICE This project includes and uses third-party software: --- PoseBusters © 2023 Martin Buttenschoen License: BSD 3-Clause License Repository: https://github.com/martin-btw/posebusters Documentation: https://posebusters.readthedocs.io/en/latest PoseBusters is a command-line tool for validating the physical and chemical plausibility of molecular docking poses. It is used in this project as a backend for inference via the Model Context Protocol (MCP). This project is NOT affiliated with or endorsed by the original authors of PoseBusters. A copy of the original PoseBusters license is available in: `third_party/posebusters/LICENSE`. --- All other code in this repository is © 2025 Pablo Villanueva Cuñado and distributed under the BSD 3-Clause License.