159 citations · 267 across the 14 of their papers we have counts for
14 papers
From Knowledge to Action: Outcomes of the 2025 Large Language Model (LLM) Hackathon for Applications in Materials Science and Chemistry
Aritra Roy, Kevin Shen, Andrew MacBride +350
Large language models (LLMs) are rapidly changing how researchers in materials science and chemistry discover, organize, and act on scientific knowledge. This paper analyzes a broa…
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…
Multimodal Language and Graph Learning of Adsorption Configuration in Catalysis
Janghoon Ock, Srivathsan Badrinarayanan, Rishikesh Magar +2
Adsorption energy is a reactivity descriptor that must be accurately predicted for effective machine learning (ML) application in catalyst screening. This process involves determin…
GPCR-BERT: Interpreting Sequential Design of G Protein Coupled Receptors Using Protein Language Models
Seongwon Kim, Parisa Mollaei, Akshay Antony +2
With the rise of Transformers and Large Language Models (LLMs) in Chemistry and Biology, new avenues for the design and understanding of therapeutics have opened up to the scientif…
GPT-MolBERTa: GPT Molecular Features Language Model for molecular property prediction
Suryanarayanan Balaji, Rishikesh Magar, Yayati Jadhav +1
With the emergence of Transformer architectures and their powerful understanding of textual data, a new horizon has opened up to predict the molecular properties based on text desc…
Materials Informatics Transformer: A Language Model for Interpretable Materials Properties Prediction
Hongshuo Huang, Rishikesh Magar, Changwen Xu +1
Recently, the remarkable capabilities of large language models (LLMs) have been illustrated across a variety of research domains such as natural language processing, computer visio…