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cs.CL2024
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…
cs.LG2024
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…