529 citations · 2.8k across the 68 of their papers we have counts for
70 papers
The California Report on Frontier AI Policy
Rishi Bommasani, Scott R. Singer, Ruth E. Appel +20
The innovations emerging at the frontier of artificial intelligence (AI) are poised to create historic opportunities for humanity but also raise complex policy challenges. Continue…
System of Agentic AI for the Discovery of Metal-Organic Frameworks
Theo Jaffrelot Inizan, Sherry Yang, Aaron Kaplan +12
Generative models and machine learning promise accelerated material discovery in MOFs for CO2 capture and water harvesting but face significant challenges navigating vast chemical…
Manifold-Constrained Nucleus-Level Denoising Diffusion Model for Structure-Based Drug Design
Shengchao Liu, Divin Yan, Weitao Du +6
Artificial intelligence models have shown great potential in structure-based drug design, generating ligands with high binding affinities. However, existing models have often overl…
Single and Multi-Hop Question-Answering Datasets for Reticular Chemistry with GPT-4-Turbo
Nakul Rampal, Kaiyu Wang, Matthew Burigana +11
The rapid advancement in artificial intelligence and natural language processing has led to the development of large-scale datasets aimed at benchmarking the performance of machine…
A Multi-Grained Symmetric Differential Equation Model for Learning Protein-Ligand Binding Dynamics
Shengchao Liu, Weitao Du, Hannan Xu +8
In drug discovery, molecular dynamics (MD) simulation for protein-ligand binding provides a powerful tool for predicting binding affinities, estimating transport properties, and ex…
Image and Data Mining in Reticular Chemistry Using GPT-4V
Zhiling Zheng, Zhiguo He, Omar Khattab +5
The integration of artificial intelligence into scientific research has reached a new pinnacle with GPT-4V, a large language model featuring enhanced vision capabilities, accessibl…