2 citations · 2 across the 1 of their papers we have counts for
4 papers · 1 filter
ChemDIRT: A Diversified Instruction, Representation, and Task Benchmark for Robust Chemistry-LLM Evaluation
Eric Inae, Tim Gunn, Chris Bond +1
The rapid advancement of large language models (LLMs) has led to increasing interest in their application to scientific domains such as chemistry. However, existing chemistry bench…
Learning Repetition-Invariant Representations for Polymer Informatics
Yihan Zhu, Gang Liu, Eric Inae +2
Polymers are large macromolecules composed of repeating structural units known as monomers and are widely applied in fields such as energy storage, construction, medicine, and aero…
Open Polymer Challenge: Post-Competition Report
Gang Liu, Sobin Alosious, Subhamoy Mahajan +9
Machine learning (ML) offers a powerful path toward discovering sustainable polymer materials, but progress has been limited by the lack of large, high-quality, and openly accessib…
Motif-aware Attribute Masking for Molecular Graph Pre-training
Eric Inae, Gang Liu, Meng Jiang
Attribute reconstruction is used to predict node or edge features in the pre-training of graph neural networks. Given a large number of molecules, they learn to capture structural…