计算机科学
自动汇总
公共化学
情报检索
聚类分析
自然语言处理
答疑
人工智能
万维网
化学
生物化学
作者
Kamal Choudhary,Mathew L. Kelley
标识
DOI:10.1021/acs.jpcc.3c03106
摘要
In this work, we present the ChemNLP library that can be used for (1) curating open access datasets for materials and chemistry literature, developing and comparing traditional machine learning, transformers and graph neural network models for (2) classifying and clustering texts, (3) named entity recognition for large-scale text-mining, (4) abstractive summarization for generating titles of articles from abstracts, (5) text generation for suggesting abstracts from titles, (6) integration with density functional theory dataset for identifying potential candidate materials such as superconductors, and (7) web-interface development for text and reference query. We primarily use the publicly available arXiv and PubChem datasets, but the tools can be used for other datasets as well. Moreover, as new models are developed, they can be easily integrated in the library. ChemNLP is available at the websites: https://github.com/usnistgov/chemnlp and https://jarvis.nist.gov/jarvischemnlp/.
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