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RESEARCH PAPER · Digital Discovery · 2025

GP-MoLFormer: a foundation model for molecular generation

Jerret Ross, Brian M. Belgodere, Samuel C. Hoffman, Vijil Chenthamarakshan, Jiri Navratil, Youssef Mroueh, Payel Das

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12 direct citing papers in this saved network. Explore the next layer with second-order citations.

Open in your workspace →Saved 2026-10-14 · complete coverage
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42 direct citing works

GP-MoLFormer: a foundation model for molecular generationOriginalA survey on large language models in biology and chemistry8Generative AI for the Design of Molecules: Advances and Challenges23Extrapolating Foundation Generative Models with Physics: A Case Study of Exploring Peptide Conformations under Protein–Environment Interactions1A comprehensive review of artificial intelligence in drug design: methods, applications, and challenges0Data-driven design and screening of novel Klebsiella pneumoniae carbapenemase-2 β-lactamase inhibitors using a generative CLM0A large language model-guided reinforcement learning framework for EGFR anticancer drug design3Applications of machine learning-based quantitative structure activity relationship (ML-QSAR) models in environmental science7DrugAgent: A multi-agent digital biosensor framework for interpretable virtual drug screening2The Evolution of Generative Chemistry in Medicinal Chemistry0JURY: A Comprehensive Training-Free to Fully-Supervised Framework for Evaluating Chemical Language Models0Machine Learning–Enhanced LC–HRMS Workflows for Suspect and Nontargeted Screening of Pesticide Residues in Fruits and Vegetables0From chemical space to synthetic reality: A framework for makeable-by-design generative AI in drug discovery0

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  1. A survey on large language models in biology and chemistry

    Experimental & Molecular Medicine · 2025-11-15

    Islambek Ashyrmamatov, Su Ji Gwak, Su-Young Jin, Ikhyeong Jun, Umit Volkan Ucak, Jay Yoon Lee, Juyong Lee

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  2. Generative AI for the Design of Molecules: Advances and Challenges

    Journal of Chemical Information and Modeling · 2025-11-18

    Yan Sun, Lianghong Chen, Zihao Jing, Yan Yi Li, Dongkyu Kim, Jing-Yan Gao, Reza Noroozi, Grace Y. Yi, Conrard Giresse Tetsassi Feugmo, Anna Klinkova, Kyla N. Sask, Agustinus Kristiadi, Boyu Wang, Elizabeth R. Gillies, Kun Ping Lu, Haotian Shi, Pingzhao Hu

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  3. Extrapolating Foundation Generative Models with Physics: A Case Study of Exploring Peptide Conformations under Protein–Environment Interactions

    The Journal of Physical Chemistry Letters · 2025-12-26

    Yanbin Wang, Ming Chen

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  4. A comprehensive review of artificial intelligence in drug design: methods, applications, and challenges

    Digital Discovery · 2026-01-01

    Yi Fang, Xiaoyong Pan, Hong‐Bin Shen

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  5. Data-driven design and screening of novel Klebsiella pneumoniae carbapenemase-2 β-lactamase inhibitors using a generative CLM

    RSC Advances · 2026-01-01

    Shamoon Tariq, Muhammad Salman Haleem, Reaz Uddin

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  6. A large language model-guided reinforcement learning framework for EGFR anticancer drug design

    Journal of Computer-Aided Molecular Design · 2026-01-17

    Yuran Chai, Xiao Huang

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  7. Applications of machine learning-based quantitative structure activity relationship (ML-QSAR) models in environmental science

    Environmental Research · 2026-01-24

    Chao Chen, Yujia Tan, Yawei Liu, Miaomiao Sun, Z. -L. Wang, Xiangyong Zheng, Zhemin Shen, Min Zhao

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  8. DrugAgent: A multi-agent digital biosensor framework for interpretable virtual drug screening

    Journal of Molecular Graphics and Modelling · 2026-04-04

    Qian Yang, Xiao-ting Ma, Teng-fei Wang, Xin Dou, Man Zhao, Xiao-wen Yang

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  9. The Evolution of Generative Chemistry in Medicinal Chemistry

    ChemistrySelect · 2026-08-01

    Rania Ehab Koshty, Manar Ahmed Shehata, Ahmed M. Gab Allah, Mohamed Bakr Zaki, Yaseen A. M. M. Elshaier

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  10. JURY: A Comprehensive Training-Free to Fully-Supervised Framework for Evaluating Chemical Language Models

    Research Square · 2026-08-19

    Daanish Uddin Khan, Naafey Aamer, Muhammad Sajjad, Sebastian Vollmer, Andreas Dengel, Muhammad Nabeel Asim

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  11. Machine Learning–Enhanced LC–HRMS Workflows for Suspect and Nontargeted Screening of Pesticide Residues in Fruits and Vegetables

    Analytical Chemistry · 2026-08-24

    Sergio A. González, Gabriel Merino, Jairo Arturo Guerrero Dallos

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  12. From chemical space to synthetic reality: A framework for makeable-by-design generative AI in drug discovery

    Drug Discovery Today · 2026-09-03

    Sebastián O. Simonetti, Aldana B. Moroni, María Marta Zanardi, Frank Kozielski, Geoffrey Wells, Exequiel O. J. Porta

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