view article Article The Pharmome Map: a comprehensive public dataset for drug-target interaction modeling 18 days ago • 11
PhysicsNeMo Collection Framework of PyTorch composable modules for developing physics guided machine learning training pipelines. https://github.com/NVIDIA/physicsnemo • 7 items • Updated 3 days ago • 10
Structure-Aware Fusion with Progressive Injection for Multimodal Molecular Representation Learning Paper • 2510.23640 • Published Oct 24 • 1
view article Article Advancing Predictive ADMET Modeling Through Community-Driven Science: The ExpansionRx-OpenADMET Blind Challenge Oct 27 • 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 • 35
view article Article LeMaterial: an open source initiative to accelerate materials discovery and research +8 Dec 10, 2024 • 54
view article Article Predicting the Effects of Mutations on Protein Function with ESM-2 Dec 13, 2023 • 27
view article Article 4× Smaller, 2× Faster, 100% Smarts - GreenBitAI's 4-bit Models Redefine AI Efficiency Aug 29 • 3
view article Article Kimina-Prover: Applying Test-time RL Search on Large Formal Reasoning Models Jul 10 • 52