Today we're sharing new breakthrough results for Pearl, our foundation model for protein–ligand cofolding.
The OpenBind Consortium recently released the first public structure-affinity benchmark for molecular AI, evaluating six prominent cofolding models on the EV-A71 2A protease. We ran our full Pearl system against the same target.
Zero-shot, with no binding-site information and no tuning, the Pearl system reaches 78% on OpenBind's primary success criteria, far ahead of every cofolding model tested by OpenBind. We also assessed a stricter sub-1 Å accuracy threshold, which is more relevant for real-world R&D usage – the Pearl system’s success is still 60%, versus 1–27% for the other models.
What matters most to us: this is the same system setup our scientists use on live drug discovery programs, not a benchmark-specific configuration.
Thanks to the OpenBind Consortium for building a rigorous public benchmark, and to
@NVIDIAHealth for the support on optimizations that enabled model scaling.