Accelerating Material Discovery for Metal Organic Frameworks using Large Language Models
- Sultan Alrowili
- Mathan Kumar Eswaran
- et al.
- 2025
- NeurIPS 2025
Workshop paper
Publications
100 results at NeurIPS 2025
An Expert in Residence: LLM Agents for Always-On Operating System Tuning
- Georgios Liargkovas
- Vahab Jabrayilov
- et al.
- 2025
- NeurIPS 2025
Workshop paperEnabling Accurate and Interpretable Property Prediction with TDiMS in Large Molecules
- Lisa Hamada
- Akihiro Kishimoto
- et al.
- 2025
- NeurIPS 2025
Workshop paperFrom Descriptions to Chemical Hazards: Predicting Persistence, Bioaccumulation, and Toxicity from Natural Language Using LLMs
- 2025
- NeurIPS 2025
Workshop paperLanguage Model Enabled Structure Prediction from Infrared Spectra of Mixtures
- Marvin Alberts
- Filippo Ficarra
- et al.
- 2025
- NeurIPS 2025
Workshop paperTheoretical Analysis of HyperCube Objective for Group Representation Learning
- Ben Huh
- Halyun Jeong
- 2025
- NeurIPS 2025
Workshop paperTask-driven Sensing with Coarse-to-Fine Glimpse-based Active Perception
- Oleh Kolner
- Thomas Bohnstingl
- et al.
- 2025
- NeurIPS 2025
Workshop paperAutomated Structure Elucidation at Human-Level Accuracy via a Multimodal Multitask Language Model
- Marvin Alberts
- Nina Hartrampf
- et al.
- 2025
- NeurIPS 2025
Workshop paperLeveraging Chemistry Foundation Models to Facilitate Structure Focused Retrieval Augmented Generation in Multi-Agent Workflows for Catalyst and Materials Design
- Nathaniel Park
- Tiffany Callahan
- et al.
- 2025
- NeurIPS 2025
Workshop paperPlanning in the Era of Language Models
- Michael Katz
- Harsha Kokel
- et al.
- 2025
- NeurIPS 2025
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