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2011.13230
Cited By
Molecular representation learning with language models and domain-relevant auxiliary tasks
26 November 2020
Benedek Fabian
T. Edlich
H. Gaspar
Marwin H. S. Segler
Joshua Meyers
Marco Fiscato
Mohamed Ahmed
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Papers citing
"Molecular representation learning with language models and domain-relevant auxiliary tasks"
50 / 61 papers shown
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Ian Foster
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102
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29 Sep 2025
MolPILE - large-scale, diverse dataset for molecular representation learning
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SubDyve: Subgraph-Driven Dynamic Propagation for Virtual Screening Enhancement Controlling False Positive
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18 Sep 2025
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M
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M
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LLM: Multi-view Molecular Representation Learning with Large Language Models
International Joint Conference on Artificial Intelligence (IJCAI), 2025
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Y. Zheng
Huan Yee Koh
Can Wang
Shirui Pan
141
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12 Aug 2025
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315
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08 Aug 2025
MIPS: a Multimodal Infinite Polymer Sequence Pre-training Framework for Polymer Property Prediction
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Yaosen Min
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Chenyi Guo
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125
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Knowledge-augmented Pre-trained Language Models for Biomedical Relation Extraction
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304
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Sugitha Janarthanan
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Ramil I. Nugmanov
Jose A. Arjona-Medina
Jörg Kurt Wegner
Alexandre Tkatchenko
Kostiantyn Chernichenko
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Cross-Modal Learning for Chemistry Property Prediction: Large Language Models Meet Graph Machine Learning
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Venkataramana Runkana
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271
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Xiusi Chen
Sara Szymkuć
Sheng Wang
Shuiwang Ji
Wei Wang
Jiawei Han
495
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Quantifying the Gain in Weak-to-Strong Generalization
Moses Charikar
Chirag Pabbaraju
Kirankumar Shiragur
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Could Chemical LLMs benefit from Message Passing
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Ziheng Chi
176
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MoleculeQA: A Dataset to Evaluate Factual Accuracy in Molecular Comprehension
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Xingyu Lu
He Cao
Zijing Liu
Shengyuan Bai
Leqing Chen
Xingtai Lv
Hai-Tao Zheng
Yu-Feng Li
HILM
378
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13 Mar 2024
An Evaluation of Large Language Models in Bioinformatics Research
Hengchuang Yin
Zhonghui Gu
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Yiparemu Abuduhaibaier
Yanqiao Zhu
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275
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ChemReasoner: Heuristic Search over a Large Language Model's Knowledge Space using Quantum-Chemical Feedback
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Carl Edwards
Khushbu Agarwal
Mariefel V. Olarte
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Hongbin Liu
Heng Ji
Sutanay Choudhury
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515
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15 Feb 2024
Emerging Opportunities of Using Large Language Models for Translation Between Drug Molecules and Indications
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Jordan Hilsman
Chengxi Zang
Junmei Wang
Lianjin Cai
Jan Zawala
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301
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Can Large Language Models Understand Molecules?
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Alan Bui
Ali Forooghi
Jianguo Lu
A. Ngom
AI4CE
527
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05 Jan 2024
nach0: Multimodal Natural and Chemical Languages Foundation Model
Chemical Science (Chem. Sci.), 2023
M. Livne
Z. Miftahutdinov
E. Tutubalina
Maksim Kuznetsov
Daniil Polykovskiy
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Anthony Costa
Alex Aliper
Alán Aspuru-Guzik
Alex Zhavoronkov
AI4CE
449
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Monte Carlo Thought Search: Large Language Model Querying for Complex Scientific Reasoning in Catalyst Design
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Henry W Sprueill
Carl Edwards
Mariefel V. Olarte
Udishnu Sanyal
Heng Ji
Sutanay Choudhury
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325
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22 Oct 2023
ReLM: Leveraging Language Models for Enhanced Chemical Reaction Prediction
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An Zhang
Enzhi Zhang
Zhiyuan Liu
Xiang Wang
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239
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Zifeng Wang
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Ninad Kulkarni
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Rishita Anubhai
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373
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Searching for High-Value Molecules Using Reinforcement Learning and Transformers
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Raj Ghugare
Santiago Miret
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372
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Recent Advances in Generative AI for Healthcare Applications
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Pengfei Dong
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437
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Language models in molecular discovery
Simon Mahns
Yibo Jiang
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Han Liu
Yuxin Chen
290
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GPT-MolBERTa: GPT Molecular Features Language Model for molecular property prediction
Suryanarayanan Balaji
Rishikesh Magar
Yayati Jadhav
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552
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Structure to Property: Chemical Element Embeddings and a Deep Learning Approach for Accurate Prediction of Chemical Properties
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Dilorom Mamurjonova
Michael Probst
212
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Prot2Text: Multimodal Protein's Function Generation with GNNs and Transformers
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Hadi Abdine
Michail Chatzianastasis
Costas Bouyioukos
Michalis Vazirgiannis
360
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Predicting small molecules solubilities on endpoint devices using deep ensemble neural networks
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Mayk Caldas Ramos
Andrew D. White
292
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ReactIE: Enhancing Chemical Reaction Extraction with Weak Supervision
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Ming Zhong
Siru Ouyang
Minhao Jiang
Vivian Hu
Yizhu Jiao
Xuan Wang
Jiawei Han
288
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Otter-Knowledge: benchmarks of multimodal knowledge graph representation learning from different sources for drug discovery
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M. Sbodio
Marcos Martínez Galindo
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Raúl Fernández-Díaz
Víctor Valls
Gabriele Picco
Cesar Berrospi Ramis
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SynerGPT: In-Context Learning for Personalized Drug Synergy Prediction and Drug Design
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Aakanksha Naik
Tushar Khot
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Kyle Lo
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Explainability Techniques for Chemical Language Models
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William Robinson
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Wilhelm Huck
Tal Kachman
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Are VAEs Bad at Reconstructing Molecular Graphs?
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Hubert Misztela
Michał Pikusa
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Krzysztof Maziarz
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Jiankai Sun
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367
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174
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196
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Elana Simon
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