4 papers
Entropy Across the Bridge: Conditional-Marginal Discretization for Flow and Schrödinger Samplers
Bruno Trentini, Dejan Stancevic, Michael M. Bronstein +2
For a fixed flow-based generative model under a small inference budget, sample quality can depend strongly on where the sampler spends its few function evaluations. Flow matching a…
Neural Point-Forms
Bruno Trentini, Jacob Hume, Vincenzo Antonio Isoldi +3
Point cloud learning often rests on the premise that observed samples are noisy traces of an underlying geometric object, such as a manifold embedded in a high-dimensional feature…
BioNeMo Framework: a modular, high-performance library for AI model development in drug discovery
Peter St. John, Dejun Lin, Polina Binder +89
Artificial Intelligence models encoding biology and chemistry are opening new routes to high-throughput and high-quality in-silico drug development. However, their training increas…
Improving Inverse Folding for Peptide Design with Diversity-regularized Direct Preference Optimization
Ryan Park, Darren J. Hsu, C. Brian Roland +5
Inverse folding models play an important role in structure-based design by predicting amino acid sequences that fold into desired reference structures. Models like ProteinMPNN, a m…