A restriction free reproduction of the antibody design workflow germinal
Replaces proprietary dependencies (PyRosetta, IgLM) with an open-source toolchain (OpenMM, AbLang1, sc-rs) and fixes multi-chain bugs, enabling unrestricted academic and commercial deployment.
Demonstrates that AbLang1-guided hallucination significantly increases initial cofolding pass rates (e.g., 33.7% vs. 18.6% for PD-L1) with equal or higher structural confidence, at the cost of a ~1.5x increase in per-trajectory compute time.
Uses hard-coded placeholder values for three energy metrics which degrades ensemble selection and disables the interface hydrogen-bond filter and lacks wet-lab experimental validation of the generated binders.