SELFormer: Molecular Representation Learning via SELFIES Language Models

10 April 2023

Papers citing "SELFormer: Molecular Representation Learning via SELFIES Language Models"

22 / 22 papers shown

Title
LLM-Fusion: A Novel Multimodal Fusion Model for Accelerated Material Discovery Onur Boyar Indra Priyadarsini Seiji Takeda Lisa Hamada 37 0 0 02 Mar 2025
NExT-Mol: 3D Diffusion Meets 1D Language Modeling for 3D Molecule Generation Zhiyuan Liu Yanchen Luo Han Huang Enzhi Zhang Sihang Li Junfeng Fang Yaorui Shi X. Wang Kenji Kawaguchi Tat-Seng Chua 97 3 0 18 Feb 2025
From Generalist to Specialist: A Survey of Large Language Models for Chemistry Yang Han Ziping Wan Lu Chen Kai Yu Xin Chen LM&MA 32 1 0 31 Dec 2024
Smirk: An Atomically Complete Tokenizer for Molecular Foundation Models Alexius Wadell Anoushka Bhutani Venkatasubramanian Viswanathan 28 0 0 19 Sep 2024
Cross-Modal Learning for Chemistry Property Prediction: Large Language Models Meet Graph Machine Learning Sakhinana Sagar Srinivas Venkataramana Runkana AI4CE 24 0 0 27 Aug 2024
A Hitchhiker's Guide to Deep Chemical Language Processing for Bioactivity Prediction Rıza Özçelik F. Grisoni 22 0 0 16 Jul 2024
Any-Property-Conditional Molecule Generation with Self-Criticism using Spanning Trees Alexia Jolicoeur-Martineau A. Baratin Kisoo Kwon Boris Knyazev Yan Zhang 26 1 0 12 Jul 2024
MolTRES: Improving Chemical Language Representation Learning for Molecular Property Prediction Jun-Hyung Park Yeachan Kim Mingyu Lee Hyuntae Park SangKeun Lee 30 0 0 09 Jul 2024
Improving Performance Prediction of Electrolyte Formulations with Transformer-based Molecular Representation Model Indra Priyadarsini Vidushi Sharma Seiji Takeda Akihiro Kishimoto Lisa Hamada Hajime Shinohara 16 5 0 28 Jun 2024
A Comprehensive Survey of Scientific Large Language Models and Their Applications in Scientific Discovery Yu Zhang Xiusi Chen Bowen Jin Sheng Wang Shuiwang Ji Wei Wang Jiawei Han 40 17 0 16 Jun 2024
FusionDTI: Fine-grained Binding Discovery with Token-level Fusion for Drug-Target Interaction Zhaohan Meng Zaiqiao Meng I. Ounis 41 4 0 03 Jun 2024
Transformers for molecular property prediction: Lessons learned from the past five years Afnan Sultan Jochen Sieg M. Mathea Andrea Volkamer AI4CE 27 10 0 05 Apr 2024
Impact of Domain Knowledge and Multi-Modality on Intelligent Molecular Property Prediction: A Systematic Survey Taojie Kuang Pengfei Liu Zhixiang Ren AI4CE 37 1 0 11 Feb 2024
From Words to Molecules: A Survey of Large Language Models in Chemistry Chang Liao Yemin Yu Yu Mei Ying Wei 22 16 0 02 Feb 2024
Using Cooperative Game Theory to Prune Neural Networks M. Diaz-Ortiz Benjamin Kempinski Daphne Cornelisse Yoram Bachrach Tal Kachman 23 2 0 17 Nov 2023
MHG-GNN: Combination of Molecular Hypergraph Grammar with Graph Neural Network Akihiro Kishimoto Hiroshi Kajino Masataka Hirose Junta Fuchiwaki Indra Priyadarsini Lisa Hamada Hajime Shinohara D. Nakano Seiji Takeda AI4CE 16 4 0 28 Sep 2023
GPT-MolBERTa: GPT Molecular Features Language Model for molecular property prediction Suryanarayanan Balaji Rishikesh Magar Yayati Jadhav and Amir Barati Farimani 13 13 0 20 Sep 2023
Materials Informatics Transformer: A Language Model for Interpretable Materials Properties Prediction Hongshuo Huang Rishikesh Magar Chang Xu A. Farimani AI4CE 25 4 0 30 Aug 2023
Why Deep Models Often cannot Beat Non-deep Counterparts on Molecular Property Prediction? Jun-Xiong Xia Lecheng Zhang Xiao Zhu Stan Z. Li 26 3 0 30 Jun 2023
Otter-Knowledge: benchmarks of multimodal knowledge graph representation learning from different sources for drug discovery Hoang Thanh Lam M. Sbodio Marcos Martínez Galindo Mykhaylo Zayats Raúl Fernández-Díaz Víctor Valls Gabriele Picco Cesar Berrospi Ramis V. López 8 8 0 22 Jun 2023
Pre-training Molecular Graph Representation with 3D Geometry Shengchao Liu Hanchen Wang Weiyang Liu Joan Lasenby Hongyu Guo Jian Tang 112 294 0 07 Oct 2021
MoleculeNet: A Benchmark for Molecular Machine Learning Zhenqin Wu Bharath Ramsundar Evan N. Feinberg Joseph Gomes C. Geniesse Aneesh S. Pappu K. Leswing Vijay S. Pande OOD 154 1,748 0 02 Mar 2017