Fetching the paper…
Reading the bibliography…
In recent years, groundbreaking advancements in natural language processing have culminated in the emergence of powerful large language models (LLMs), which have showcased remarkable capabilities across a vast array of domains, including the understanding, generation, and translation of natural language, and even tasks that extend beyond language processing.
Studies in molecular dynamics. i. general method
Berni J Alder and Thomas Everett Wainwright · 1959
Earlier work this paper cites.
Unified approach for molecular dynamics and density-functional theory
Richard Car and Mark Parrinello · 1985
Earlier work this paper cites.
Basic local alignment search tool
Stephen F Altschul, Warren Gish, Webb Miller, Eugene W Myers, and David J Lipman · 1990
Earlier work this paper cites.
Molecular dynamics simulations of biomolecules: long-range electrostatic effects
Celeste Sagui and Thomas A Darden · 1999
Earlier work this paper cites.
String method for the study of rare events
E Weinan, Weiqing Ren, and Eric Vanden-Eijnden · 2002
Earlier work this paper cites.
Ft-ir study of the hydrolysis and polymerization of tetraethyl orthosilicate and polydimethyl siloxane in the presence of tetrabutyl orthotitanate
L Téllez, J Rubio, F Rubio, E Morales, and JL Oteo · 2004
Earlier work this paper cites.
The amber biomolecular simulation programs
David A Case, Thomas E Cheatham III, Tom Darden, Holger Gohlke, Ray Luo, Kenneth M Merz Jr, Alexey Onufriev, Carlos Simmerling, Bing Wang, and Robert J Woods · 2005
Earlier work this paper cites.
The worldwide protein data bank (wwPDB): ensuring a single, uniform archive of PDB data
Helen Berman, Kim Henrick, Haruki Nakamura, and John L Markley · 2007
Earlier work this paper cites.
Bindingdb: a web-accessible database of experimentally determined protein–ligand binding affinities
Tiqing Liu, Yuhmei Lin, Xin Wen, Robert N Jorissen, and Michael K Gilson · 2007
Earlier work this paper cites.
Gaussian approximation potentials: The accuracy of quantum mechanics, without the electrons
Albert P Bartók, Mike C Payne, Risi Kondor, and Gábor Csányi · 2010
Earlier work this paper cites.
How to improve R&D productivity: the pharmaceutical industry’s grand challenge
Steven M Paul, Daniel S Mytelka, Christopher T Dunwiddie, Charles C Persinger, Bernard H Munos, Stacy R Lindborg, and Aaron L Schacht · 2010
Earlier work this paper cites.
Comprehensive analysis of kinase inhibitor selectivity
Mindy I Davis, Jeremy P Hunt, Sanna Herrgard, Pietro Ciceri, Lisa M Wodicka, Gabriel Pallares, Michael Hocker, Daniel K Treiber, and Patrick P Zarrinkar · 2011
Earlier work this paper cites.
Principles of early drug discovery
James P Hughes, Stephen Rees, S Barrett Kalindjian, and Karen L Philpott · 2011
Earlier work this paper cites.
Diagnosing the decline in pharmaceutical r&d efficiency
Jack W Scannell, Alex Blanckley, Helen Boldon, and Brian Warrington · 2012
Earlier work this paper cites.
Role of F - in the hydrolysis–condensation mechanisms of silicon alkoxide Si(OCH 3 ) 4 : a DFT investigation
Xueli Cheng, Yanyun Zhao, Yongjun Liu, and Feng Li · 2013
Earlier work this paper cites.
The cancer genome atlas pan-cancer analysis project
John N Weinstein, Eric A Collisson, Gordon B Mills, Kenna R Shaw, Brad A Ozenberger, Kyle Ellrott, Ilya Shmulevich, Chris Sander, and Joshua M Stuart · 2013
Earlier work this paper cites.
Improved force field parameters lead to a better description of rna structure
Christina Bergonzo and Thomas E Cheatham III · 2015
Earlier work this paper cites.
A global reference for human genetic variation
1000 Genomes Project Consortium et al · 2015
Earlier work this paper cites.
A generalized method for constructing hypothetical nanoporous materials of any net topology from graph theory
Peter G Boyd and Tom K Woo · 2016
Earlier work this paper cites.
Effect of Ga-substitution for Fe sites of delafossite CuFe 1-x
Yuttana Hongaromkij, Chalermpol Rudradawong, and Chesta Ruttanapun · 2016
Earlier work this paper cites.
A polymer dataset for accelerated property prediction and design
Tran Doan Huan, Arun Mannodi-Kanakkithodi, Chiho Kim, Vinit Sharma, Ghanshyam Pilania, and Rampi Ramprasad · 2016
Earlier work this paper cites.
What’s what: The (nearly) definitive guide to reaction role assignment
Nadine Schneider, Nikolaus Stiefl, and Gregory A Landrum · 2016
Earlier work this paper cites.
Machine learning of accurate energy-conserving molecular force fields
Stefan Chmiela, Alexandre Tkatchenko, Huziel E Sauceda, Igor Poltavsky, Kristof T Schütt, and Klaus-Robert Müller · 2017
Earlier work this paper cites.
Luminescence properties of Pr 6 O 11
Shingo Fuchi, Wataru Ishikawa, Seiya Nishimura, and Yoshikazu Takeda · 2017
Earlier work this paper cites.
Optimizing chemical reactions with deep reinforcement learning
Zhenpeng Zhou, Xiaocheng Li, and Richard N Zare · 2017
Earlier work this paper cites.
Towards exact molecular dynamics simulations with machine-learned force fields
Stefan Chmiela, Huziel E Sauceda, Klaus-Robert Müller, and Alexandre Tkatchenko · 2018
Earlier work this paper cites.
High-temperature x-ray diffraction and spectroscopic studies of some aurivillius phases
AV Knyazev, M Mączka, OV Krasheninnikova, M Ptak, EV Syrov, and M Trzebiatowska-Gussowska · 2018
Earlier work this paper cites.
Deepdta: deep drug–target binding affinity prediction
Hakime Öztürk, Arzucan Özgür, and Elif Ozkirimli · 2018
Earlier work this paper cites.
Molecular machine learning with DeepChem
Bharath Ramsundar · 2018
Earlier work this paper cites.
Automating drug discovery
Gisbert Schneider · 2018
Earlier work this paper cites.
Pyscf: the python-based simulations of chemistry framework
Qiming Sun, Timothy C Berkelbach, Nick S Blunt, George H Booth, Sheng Guo, Zhendong Li, Junzi Liu, James D McClain, Elvira R Sayfutyarova, Sandeep Sharma, et al · 2018
Earlier work this paper cites.
Rna force field with accuracy comparable to state-of-the-art protein force fields
Dazhi Tan, Stefano Piana, Robert M Dirks, and David E Shaw · 2018
Earlier work this paper cites.
MoleculeNet: a benchmark for molecular machine learning
Zhenqin Wu, Bharath Ramsundar, Evan N Feinberg, Joseph Gomes, Caleb Geniesse, Aneesh S Pappu, Karl Leswing, and Vijay Pande · 2018
Earlier work this paper cites.
Deep potential molecular dynamics: a scalable model with the accuracy of quantum mechanics
Linfeng Zhang, Jiequn Han, Han Wang, Roberto Car, and E Weinan · 2018
Earlier work this paper cites.
Uniprot: a worldwide hub of protein knowledge
UniProt Consortium · 2019
Earlier work this paper cites.
Kinetics of alkoxysilanes and organoalkoxysilanes polymerization: a review
Ahmed A Issa and Adriaan S Luyt · 2019
Earlier work this paper cites.
Pubchem 2019 update: improved access to chemical data
Sunghwan Kim, Jie Chen, Tiejun Cheng, Asta Gindulyte, Jia He, Siqian He, Qingliang Li, Benjamin A Shoemaker, Paul A Thiessen, Bo Yu, et al · 2019
Earlier work this paper cites.
A fast neural network approach for direct covariant forces prediction in complex multi-element extended systems
Jonathan P Mailoa, Mordechai Kornbluth, Simon Batzner, Georgy Samsonidze, Stephen T Lam, Jonathan Vandermause, Chris Ablitt, Nicola Molinari, and Boris Kozinsky · 2019
Earlier work this paper cites.
ff19sb: Amino-acid-specific protein backbone parameters trained against quantum mechanics energy surfaces in solution
Chuan Tian, Koushik Kasavajhala, Kellon AA Belfon, Lauren Raguette, He Huang, Angela N Migues, John Bickel, Yuzhang Wang, Jorge Pincay, Qin Wu, et al · 2019
Earlier work this paper cites.
Applications of machine learning in drug discovery and development
Jessica Vamathevan, Dominic Clark, Paul Czodrowski, Ian Dunham, Edgardo Ferran, George Lee, Bin Li, Anant Madabhushi, Parantu Shah, Michaela Spitzer, et al · 2019
Cited alongside, same era.
Benchmarking materials property prediction methods: the matbench test set and automatminer reference algorithm
Alexander Dunn, Qi Wang, Alex Ganose, Daniel Dopp, and Anubhav Jain · 2020
Cited alongside, same era.
Optimizing chemical reaction conditions using deep learning: a case study for the Suzuki–Miyaura cross-coupling reaction
Zunyun Fu, Xutong Li, Zhaohui Wang, Zhaojun Li, Xiaohong Liu, Xiaolong Wu, Jihui Zhao, Xiaoyu Ding, Xiaozhe Wan, Feisheng Zhong, et al · 2020
Cited alongside, same era.
Ab initio electron-two-phonon scattering in gaas from next-to-leading order perturbation theory
Nien-En Lee, Jin-Jian Zhou, Hsiao-Yi Chen, and Marco Bernardi · 2020
Cited alongside, same era.
Ligaos is a fast li-ion conductor: A first-principles prediction
Xueling Lei, Wenjun Wu, Bo Xu, Chuying Ouyang, and Kevin Huang · 2020
Can ChatGPT pass high school exams on English language comprehension
Joost CF de Winter · 2023
Closest in time.
Unlocking the power of generative ai models and systems such as GPT-4 and ChatGPT for higher education: A guide for students and lecturers
Henner Gimpel, Kristina Hall, Stefan Decker, Torsten Eymann, Luis Lämmermann, Alexander Mädche, Maximilian Röglinger, Caroline Ruiner, Manfred Schoch, Mareike Schoop, et al · 2023
Closest in time.
Multimodal-GPT: A vision and language model for dialogue with humans
Tao Gong, Chengqi Lyu, Shilong Zhang, Yudong Wang, Miao Zheng, Qian Zhao, Kuikun Liu, Wenwei Zhang, Ping Luo, and Kai Chen · 2023
Closest in time.
AudioGPT: Understanding and generating speech, music, sound, and talking head
Rongjie Huang, Mingze Li, Dongchao Yang, Jiatong Shi, Xuankai Chang, Zhenhui Ye, Yuning Wu, Zhiqing Hong, Jiawei Huang, Jinglin Liu, et al · 2023
Closest in time.
alphaXiv searches the wider corpus for related work and actual follow-ups.
alphaXiv is searching for related work…
Cited alongside, same era.
Efficient quantum chemical calculation of structure ensembles and free energies for nonrigid molecules
Stefan Grimme, Fabian Bohle, Andreas Hansen, Philipp Pracht, Sebastian Spicher, and Marcel Stahn · 2021
Cited alongside, same era.
DNABERT: pre-trained bidirectional encoder representations from transformers model for dna-language in genome
Yanrong Ji, Zhihan Zhou, Han Liu, and Ramana V Davuluri · 2021
Cited alongside, same era.
Computational screening of trillions of metal–organic frameworks for high-performance methane storage
Sangwon Lee, Baekjun Kim, Hyun Cho, Hooseung Lee, Sarah Yunmi Lee, Eun Seon Cho, and Jihan Kim · 2021
Cited alongside, same era.
Learning nonlinear operators via deeponet based on the universal approximation theorem of operators
Lu Lu, Pengzhan Jin, Guofei Pang, Zhongqiang Zhang, and George Em Karniadakis · 2021
Cited alongside, same era.
Language models enable zero-shot prediction of the effects of mutations on protein function
Joshua Meier, Roshan Rao, Robert Verkuil, Jason Liu, Tom Sercu, and Alex Rives · 2021
Cited alongside, same era.
Msa transformer
Roshan M Rao, Jason Liu, Robert Verkuil, Joshua Meier, John Canny, Pieter Abbeel, Tom Sercu, and Alexander Rives · 2021
Cited alongside, same era.
Bayesian reaction optimization as a tool for chemical synthesis
Benjamin J Shields, Jason Stevens, Jun Li, Marvin Parasram, Farhan Damani, Jesus I Martinez Alvarado, Jacob M Janey, Ryan P Adams, and Abigail G Doyle · 2021
Cited alongside, same era.
Jaeho Jeon, Seongyong Lee, and Seongyune Choi · 2023
Closest in time.
Chatmof: An autonomous ai system for predicting and generating metal-organic frameworks
Yeonghun Kang and Jihan Kim · 2023
Closest in time.
GPT-4 passes the bar exam
Daniel Martin Katz, Michael James Bommarito, Shang Gao, and Pablo Arredondo · 2023
Closest in time.
Benefits, limits, and risks of GPT-4 as an AI chatbot for medicine
Peter Lee, Sebastien Bubeck, and Joseph Petro · 2023
Closest in time.
Videochat: Chat-centric video understanding
KunChang Li, Yinan He, Yi Wang, Yizhuo Li, Wenhai Wang, Ping Luo, Yali Wang, Limin Wang, and Yu Qiao · 2023
Closest in time.
Evolutionary-scale prediction of atomic-level protein structure with a language model
Zeming Lin, Halil Akin, Roshan Rao, Brian Hie, Zhongkai Zhu, Wenting Lu, Nikita Smetanin, Robert Verkuil, Ori Kabeli, Yaniv Shmueli, et al · 2023
Closest in time.
MolXPT: Wrapping molecules with text for generative pre-training
Zequn Liu, Wei Zhang, Yingce Xia, Lijun Wu, Shufang Xie, Tao Qin, Ming Zhang, and Tie-Yan Liu · 2023
Closest in time.
A few-layer covalent network of fullerenes
Elena Meirzadeh, Austin M Evans, Mehdi Rezaee, Milena Milich, Connor J Dionne, Thomas P Darlington, Si Tong Bao, Amymarie K Bartholomew, Taketo Handa, Daniel J Rizzo, et al · 2023
Closest in time.
Copilot for azure quantum, 2023
Microsoft · 2023
Closest in time.
Møller scattering — Wikipedia, the free encyclopedia, 2023
Møller scattering · 2023
Closest in time.
A database of ultrastable MOFs reassembled from stable fragments with machine learning models
Aditya Nandy, Shuwen Yue, Changhwan Oh, Chenru Duan, Gianmarco G Terrones, Yongchul G Chung, and Heather J Kulik · 2023
Closest in time.
Hyenadna: Long-range genomic sequence modeling at single nucleotide resolution
Eric Nguyen, Michael Poli, Marjan Faizi, Armin Thomas, Callum Birch-Sykes, Michael Wornow, Aman Patel, Clayton Rabideau, Stefano Massaroli, Yoshua Bengio, et al · 2023
Closest in time.
Capabilities of gpt-4 on medical challenge problems
Harsha Nori, Nicholas King, Scott Mayer McKinney, Dean Carignan, and Eric Horvitz · 2023
Closest in time.
OpenAI · 2023
Closest in time.
AI-assisted coding: experiments with GPT-4
Russell A Poldrack, Thomas Lu, and Gašper Beguš · 2023
Closest in time.
Vinay Pursnani, Yusuf Sermet, and Ibrahim Demir · 2023
Closest in time.
GPT-4 is here: what scientists think
Katharine Sanderson · 2023
Closest in time.
Hugginggpt: Solving ai tasks with chatgpt and its friends in huggingface
Yongliang Shen, Kaitao Song, Xu Tan, Dongsheng Li, Weiming Lu, and Yueting Zhuang · 2023
Closest in time.
New oxyhalide solid electrolytes with high lithium ionic conductivity> 10 ms cm- 1 for all-solid-state batteries
Yoshiaki Tanaka, Koki Ueno, Keita Mizuno, Kaori Takeuchi, Tetsuya Asano, and Akihiro Sakai · 2023
Closest in time.
Auto-gpt, 2023
Torantulino, Pi, Blake Werlinger, Douglas Schonholtz, Hunter Araujo, Dion, David Wurtz, Fergus, Andrew Minnella, Ian, and Robin Sallay · 2023
Closest in time.
Llama 2: Open foundation and fine-tuned chat models
Hugo Touvron, Louis Martin, Kevin Stone, Peter Albert, Amjad Almahairi, Yasmine Babaei, Nikolay Bashlykov, Soumya Batra, Prajjwal Bhargava, Shruti Bhosale, et al · 2023
Closest in time.
GPT-4: a new era of artificial intelligence in medicine
Ethan Waisberg, Joshua Ong, Mouayad Masalkhi, Sharif Amit Kamran, Nasif Zaman, Prithul Sarker, Andrew G Lee, and Alireza Tavakkoli · 2023
Closest in time.
Visionllm: Large language model is also an open-ended decoder for vision-centric tasks
Wenhai Wang, Zhe Chen, Xiaokang Chen, Jiannan Wu, Xizhou Zhu, Gang Zeng, Ping Luo, Tong Lu, Jie Zhou, Yu Qiao, et al · 2023
Closest in time.
Yuqing Wang, Yun Zhao, and Linda Petzold · 2023
Closest in time.
Visual chatgpt: Talking, drawing and editing with visual foundation models
Chenfei Wu, Shengming Yin, Weizhen Qi, Xiaodong Wang, Zecheng Tang, and Nan Duan · 2023
Closest in time.
Autogen: Enabling next-gen llm applications via multi-agent conversation framework
Qingyun Wu, Gagan Bansal, Jieyu Zhang, Yiran Wu, Shaokun Zhang, Erkang Zhu, Beibin Li, Li Jiang, Xiaoyun Zhang, and Chi Wang · 2023
Closest in time.
An empirical study on challenging math problem solving with gpt-4
Yiran Wu, Feiran Jia, Shaokun Zhang, Qingyun Wu, Hangyu Li, Erkang Zhu, Yue Wang, Yin Tat Lee, Richard Peng, and Chi Wang · 2023
Closest in time.
A lacl3-based lithium superionic conductor compatible with lithium metal
Yi-Chen Yin, Jing-Tian Yang, Jin-Da Luo, Gong-Xun Lu, Zhongyuan Huang, Jian-Ping Wang, Pai Li, Feng Li, Ye-Chao Wu, Te Tian, et al · 2023
Closest in time.
SpeechGPT: Empowering large language models with intrinsic cross-modal conversational abilities
Dong Zhang, Shimin Li, Xin Zhang, Jun Zhan, Pengyu Wang, Yaqian Zhou, and Xipeng Qiu · 2023
Closest in time.
Towards predicting equilibrium distributions for molecular systems with deep learning
Shuxin Zheng, Jiyan He, Chang Liu, Yu Shi, Ziheng Lu, Weitao Feng, Fusong Ju, Jiaxi Wang, Jianwei Zhu, Yaosen Min, et al · 2023
Closest in time.
Uni-Mol: a universal 3D molecular representation learning framework
Gengmo Zhou, Zhifeng Gao, Qiankun Ding, Hang Zheng, Hongteng Xu, Zhewei Wei, Linfeng Zhang, and Guolin Ke · 2023
Closest in time.
DNABERT-2: Efficient foundation model and benchmark for multi-species genome
Zhihan Zhou, Yanrong Ji, Weijian Li, Pratik Dutta, Ramana Davuluri, and Han Liu · 2023
Closest in time.
MiniGPT-4: Enhancing vision-language understanding with advanced large language models
Deyao Zhu, Jun Chen, Xiaoqian Shen, Xiang Li, and Mohamed Elhoseiny · 2023
Closest in time.
Dual-view molecular pre-training
Jinhua Zhu, Yingce Xia, Lijun Wu, Shufang Xie, Wengang Zhou, Tao Qin, Houqiang Li, and Tie-Yan Liu · 2023
Closest in time.