Title
Position: Multimodal Large Language Models Can Significantly Advance Scientific Reasoning Yibo Yan Shen Wang Jiahao Huo Jingheng Ye Zhendong Chu Xuming Hu Philip S. Yu Carla P. Gomes B. Selman Qingsong Wen LRM 114 9 0 05 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
Chemical Language Model Linker: blending text and molecules with modular adapters Yifan Deng Spencer S. Ericksen Anthony Gitter 19 0 0 26 Oct 2024
nach0-pc: Multi-task Language Model with Molecular Point Cloud Encoder Maksim Kuznetsov Airat Valiev Alex Aliper Daniil Polykovskiy E. Tutubalina Rim Shayakhmetov Z. Miftahutdinov 18 0 0 11 Oct 2024
PRESTO: Progressive Pretraining Enhances Synthetic Chemistry Outcomes He Cao Yanjun Shao Zhiyuan Liu Zijing Liu Xiangru Tang Yuan Yao Yu Li AI4CE 33 5 0 19 Jun 2024
Leveraging Biomolecule and Natural Language through Multi-Modal Learning: A Survey Qizhi Pei Lijun Wu Kaiyuan Gao Jinhua Zhu Yue Wang Zun Wang Tao Qin Rui Yan AI4CE 44 19 0 03 Mar 2024
Machine Learning Predicts Upper Secondary Education Dropout as Early as the End of Primary School Maria Psyridou Fabi Prezja M. Torppa Marja‐Kristiina Lerkkanen A. Poikkeus K. Vasalampi 21 0 0 01 Mar 2024
MolTC: Towards Molecular Relational Modeling In Language Models Junfeng Fang Shuai Zhang Chang Wu Zhengyi Yang Zhiyuan Liu Sihang Li Kun Wang Wenjie Du Xiang Wang 27 18 0 06 Feb 2024
From Words to Molecules: A Survey of Large Language Models in Chemistry Chang Liao Yemin Yu Yu Mei Ying Wei 25 16 0 02 Feb 2024
BigBIO: A Framework for Data-Centric Biomedical Natural Language Processing Jason Alan Fries Leon Weber Natasha Seelam Gabriel Altay Debajyoti Datta ... Minh Chien Vu Trishala Neeraj Jonas Golde Albert Villanova del Moral Benjamin Beilharz LM&MA 93 45 0 30 Jun 2022
Large Language Models are Zero-Shot Reasoners Takeshi Kojima S. Gu Machel Reid Yutaka Matsuo Yusuke Iwasawa ReLM LRM 291 2,712 0 24 May 2022
Keeping it Simple: Language Models can learn Complex Molecular Distributions Daniel Flam-Shepherd Kevin Zhu A. Aspuru‐Guzik 122 142 0 06 Dec 2021
NeMo: a toolkit for building AI applications using Neural Modules Oleksii Kuchaiev Jason Chun Lok Li Huyen Nguyen Oleksii Hrinchuk Ryan Leary ... Jack Cook P. Castonguay Mariya Popova Jocelyn Huang Jonathan M. Cohen 177 287 0 14 Sep 2019
PubMedQA: A Dataset for Biomedical Research Question Answering Qiao Jin Bhuwan Dhingra Zhengping Liu William W. Cohen Xinghua Lu 202 791 0 13 Sep 2019
Molecular Sets (MOSES): A Benchmarking Platform for Molecular Generation Models Daniil Polykovskiy Alexander Zhebrak Benjamín Sánchez-Lengeling Sergey Golovanov Oktai Tatanov ... Simon Johansson Hongming Chen Sergey I. Nikolenko Alán Aspuru-Guzik Alex Zhavoronkov ELM 167 628 0 29 Nov 2018
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 157 1,748 0 02 Mar 2017