From the 1 of 2 linked papers with an AI index.
2 papers
q-bio.BM2026
Training a force field for proteins and small molecules from scratch
Alexandre Blanco-González, Thea K Schulze, Evianne Rovers +1
The paper introduces Garnet, a graph neural network that learns force field parameters for proteins and small molecules directly from quantum mechanical and experimental data, achi…
cs.LG2026
MixMin: Finding Data Mixtures via Convex Minimization
Anvith Thudi, Evianne Rovers, Yangjun Ruan +2
Modern machine learning pipelines are increasingly combining and mixing data from diverse and disparate sources, e.g., pre-training large language models. Yet, finding the optimal…