view article Article Introducing Trackio: A Lightweight Experiment Tracking Library from Hugging Face +3 Jul 29, 2025 • 213
OpenScholar_V1 Collection The set of models, index, data associated with the paper "OpenScholar: Synthesizing Scientific Literature with Retrieval-Augmented LMs". • 8 items • Updated Nov 22, 2024 • 50
view article Article Why You Should Care About Partial Differential Equations (PDEs) Dec 12, 2025 • 41
view article Article The Pharmome Map: a comprehensive public dataset for drug-target interaction modeling Nov 18, 2025 • 11
PhysicsNeMo Collection Framework of PyTorch composable modules for developing physics guided machine learning training pipelines. https://github.com/NVIDIA/physicsnemo • 10 items • Updated 10 days ago • 13
Structure-Aware Fusion with Progressive Injection for Multimodal Molecular Representation Learning Paper • 2510.23640 • Published Oct 24, 2025 • 1
view article Article Advancing Predictive ADMET Modeling Through Community-Driven Science: The ExpansionRx-OpenADMET Blind Challenge Oct 27, 2025 • 12
LLaMat Collection Foundational Large Language Models for Materials Research • 6 items • Updated Dec 13, 2024 • 6
view article Article SAIR: Accelerating Pharma R&D with AI-Powered Structural Intelligence Sep 2, 2025 • 36
view article Article LeMaterial: an open source initiative to accelerate materials discovery and research +8 Dec 10, 2024 • 56
view article Article Predicting the Effects of Mutations on Protein Function with ESM-2 Dec 13, 2023 • 28