887 citations · 1k across the 10 of their papers we have counts for
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MOFGPT: Generative Design of Metal-Organic Frameworks using Language Models
Srivathsan Badrinarayanan, Rishikesh Magar, Akshay Antony +2
The discovery of Metal-Organic Frameworks (MOFs) with application-specific properties remains a central challenge in materials chemistry, owing to the immense size and complexity o…
AdditiveLLM: Large Language Models Predict Defects in Additive Manufacturing
Peter Pak, Amir Barati Farimani
In this work we investigate the ability of large language models to predict additive manufacturing defect regimes given a set of process parameter inputs. For this task we utilize…
AugLiChem: Data Augmentation Library of Chemical Structures for Machine Learning
Rishikesh Magar, Yuyang Wang, Cooper Lorsung +4
Machine learning (ML) has demonstrated the promise for accurate and efficient property prediction of molecules and crystalline materials. To develop highly accurate ML models for c…
Molecular Contrastive Learning of Representations via Graph Neural Networks
Yuyang Wang, Jianren Wang, Zhonglin Cao +1
Molecular Machine Learning (ML) bears promise for efficient molecule property prediction and drug discovery. However, labeled molecule data can be expensive and time-consuming to a…