Predicting immunotherapy response from single-cell data remains difficult due to patient-level labels, extreme class imbalance, and highly heterogeneous macrophage states. We present a Multiple Instance Learning (MIL) framework that treats each patie...
Enzyme turnover numbers (kcat) are essential for kinetic models and enzyme-constrained genome-scale metabolic models (ecGEMs), but measured values are sparse and therefore increasingly estimated using machine learning (ML). Although these predictors ...
Precision oncology aims to tailor cancer treatment to tumor genetics but it currently benefits only a small fraction of patients, in part because the primary focus is to match drug targets to single genes. The Cancer Dependency Map Project (DepMap) a...
Pediatric low-grade glioma (pLGG) is the most common type of brain tumor in children, accounting for approximately 30% of all central nervous system tumors in children. pLGG has multiple molecular subtypes that differ in disease progression, recurren...
Single-cell foundation models (scFMs) have been widely promoted as a unifying paradigm for transcriptomic analysis, yet whether large-scale pretraining translates into reproducible biological advantages remains unclear. Their adoption is further hind...
High-quality experimental datasets that link protein-ligand structures with binding affinity data are essential for developing and evaluating structure-based machine learning methods. To help address this need, we established OpenBind as an open-scie...
Proteins are dynamic molecules existing in diverse conformational states underlying their biological functions. Although recent approaches have enabled diverse conformational sampling by emulating molecular dynamics simulations, perturbing evolutiona...
Genetic variation among microbial strains of the same species can profoundly influence their phenotypes, ecological functions, and impacts on human health. Traditionally, the relative abundance of a species has been used to identify associations betw...
Infections with bacteria which have evolved multi-drug resistance (MDR) cause millions of deaths worldwide. Large-scale efforts are gathering genotypic and phenotypic data on MDR bacteria, but methods for learning the structure, diversity, and predic...
Despite its strong link to neuropsychiatric conditions, frustration remains critically understudied in humans and animals alike. Therefore, there is an urgent need to develop tools to understand and therapeutically target frustration-related function...
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