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Huang, Hongshuo, Magar, Rishikesh, Barati Farimani, Amir (2024) Pretraining Strategies for Structure Agnostic Material Property Prediction. Journal of Chemical Information and Modeling, 64 (3) 627-637 doi:10.1021/acs.jcim.3c00919

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Reference TypeJournal (article/letter/editorial)
TitlePretraining Strategies for Structure Agnostic Material Property Prediction
JournalJournal of Chemical Information and Modeling
AuthorsHuang, HongshuoAuthor
Magar, RishikeshAuthor
Barati Farimani, AmirAuthor
Year2024 (February 12)Volume64
Issue3
PublisherAmerican Chemical Society (ACS)
DOIdoi:10.1021/acs.jcim.3c00919Search in ResearchGate
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Mindat Ref. ID17156750Long-form Identifiermindat:1:5:17156750:4
GUID0
Full ReferenceHuang, Hongshuo, Magar, Rishikesh, Barati Farimani, Amir (2024) Pretraining Strategies for Structure Agnostic Material Property Prediction. Journal of Chemical Information and Modeling, 64 (3) 627-637 doi:10.1021/acs.jcim.3c00919
Plain TextHuang, Hongshuo, Magar, Rishikesh, Barati Farimani, Amir (2024) Pretraining Strategies for Structure Agnostic Material Property Prediction. Journal of Chemical Information and Modeling, 64 (3) 627-637 doi:10.1021/acs.jcim.3c00919
In(2024, February) Journal of Chemical Information and Modeling Vol. 64 (3) American Chemical Society (ACS)

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Magar, Rishikesh, Barati Farimani, Amir (2023) Learning from mistakes: Sampling strategies to efficiently train machine learning models for material property prediction. Computational Materials Science, 224. 112167 doi:10.1016/j.commatsci.2023.112167
Kim, Seongwon, Mollaei, Parisa, Antony, Akshay, Magar, Rishikesh, Barati Farimani, Amir (2024) GPCR-BERT: Interpreting Sequential Design of G Protein-Coupled Receptors Using Protein Language Models. Journal of Chemical Information and Modeling, 64 (4) 1134-1144 doi:10.1021/acs.jcim.3c01706
Badrinarayanan, Srivathsan; Magar, Rishikesh; Antony, Akshay; Meda, Radheesh Sharma; Barati Farimani, Amir (2025) MOFGPT: Generative Design of Metal–Organic Frameworks using Language Models. Journal of Chemical Information and Modeling, 65 (17). doi:10.1021/acs.jcim.5c01625
Magar, Rishikesh, Wang, Yuyang, Barati Farimani, Amir (2022) Crystal twins: self-supervised learning for crystalline material property prediction. npj Computational Materials, 8 (1). doi:10.1038/s41524-022-00921-5
Wang, Yuyang, Magar, Rishikesh, Liang, Chen, Barati Farimani, Amir (2022) Improving Molecular Contrastive Learning via Faulty Negative Mitigation and Decomposed Fragment Contrast. Journal of Chemical Information and Modeling, 62 (11) 2713-2725 doi:10.1021/acs.jcim.2c00495
Cao, Zhonglin, Magar, Rishikesh, Wang, Yuyang, Barati Farimani, Amir (2023) MOFormer: Self-Supervised Transformer Model for Metal–Organic Framework Property Prediction. Journal of the American Chemical Society, 145 (5) 2958-2967 doi:10.1021/jacs.2c11420
Huang, Hongshuo, Barati Farimani, Amir (2024) Multimodal learning of heat capacity based on transformers and crystallography pretraining. Journal of Applied Physics, 135 (16) doi:10.1063/5.0201755
Chaudhari, Akshat, Guntuboina, Chakradhar, Huang, Hongshuo, Farimani, Amir Barati (2024) AlloyBERT: Alloy property prediction with large language models. Computational Materials Science, 244. 113256 doi:10.1016/j.commatsci.2024.113256
Badrinarayanan, Srivathsan, Guntuboina, Chakradhar, Mollaei, Parisa, Barati Farimani, Amir (2025) Multi-Peptide: Multimodality Leveraged Language-Graph Learning of Peptide Properties. Journal of Chemical Information and Modeling, 65 (1). doi:10.1021/acs.jcim.4c01443
Mollaei, Parisa, Barati Farimani, Amir (2023) Activity Map and Transition Pathways of G Protein-Coupled Receptor Revealed by Machine Learning. Journal of Chemical Information and Modeling, 63 (8) 2296-2304 doi:10.1021/acs.jcim.3c00032
Zhuang, Zixin, Barnard, Amanda S. (2024) Property Prediction for Complex Compounds Using Structure-Free Mendeleev Encoding and Machine Learning. Journal of Chemical Information and Modeling, 64 (24). doi:10.1021/acs.jcim.4c01343
 
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