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Payel Das

IBM

36H指数
238论文数
4.2K被引数
收录论文 47
发表时间
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Fundamental safety-capability trade-offs in fine-tuning large language models精调大型语言模型的基本安全-能力权衡
errPNAS Nexus
IF3.8
err2026-04-02
err0
errOAAI
errPin-Yu Chen; Han Shen; Payel Das; Tianyi Chen
err分享
err收藏
GP-molformer: A Foundation Model For Molecular GenerationGP-molformer：一种用于分子生成的预训练模型
errDigital Discovery
IF5.6
err2025-08-19
err0
errOAAI
errJerret Ross; Brian Belgodere; Samuel Chung Hoffman; Vijil Chenthamarakshan; Jiri Navratil; Youssef Mroueh; Payel Das
err分享
err收藏
Reprogramming pretrained language models for protein sequence representation learning重新编程预训练语言模型用于蛋白质序列表示学习
errDIGITAL DISCOVERY
IF5.6
err2025-01-01
err0
errOAAI
errVinod, Ria; Chen, Pin-Yu; Das, Payel
err分享
err收藏
Acceleration of Graph Neural Network-Based Prediction Models in Chemistry via Co-Design Optimization on Intelligence Processing Units
errJOURNAL OF CHEMICAL INFORMATION AND MODELING
IF5.3
err2024-02-21
err2
PREAI
errHelal, Hatem; Firoz, Jesun; Bilbrey, Jenna A.; Sprueill, Henry; Herman, Kristina M.; Krell, Mario Michael; Murray, Tom; Roldan, Manuel Lopez; Kraus, Mike; Li, Ang; Das, Payel; Xantheas, Sotiris S.; Choudhury, Sutanay
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Anniversary AI reflections
errNATURE MACHINE INTELLIGENCE
IF23.9
err2024-01-24
err4
PREAI
errFerruz, Noelia; Zitnik, Marinka; Oudeyer, Pierre-Yves; Hine, Emmie; Sengupta, Nandana; Shi, Yiyu; Mincu, Diana; Mann, Sebastian Porsdam; Das, Payel; Stella, Francesco
err分享
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Physics-enhanced deep surrogates for partial differential equations偏微分方程的物理增强深度代理
errNATURE MACHINE INTELLIGENCE
IF23.9
err2023-12-04
err6
PREAI
errPestourie, Raphael; Mroueh, Youssef; Rackauckas, Chris; Das, Payel; Johnson, Steven G.
err分享
err收藏
An end-to-end deep learning framework for translating mass spectra to de-novo molecules
errCOMMUNICATIONS CHEMISTRY
IF6.2
err2023-06-23
err10
errOAAI
errLitsa, Eleni E.; Chenthamarakshan, Vijil; Das, Payel; Kavraki, Lydia E.
err分享
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Accelerating drug target inhibitor discovery with a deep generative foundation model
errSCIENCE ADVANCES
IF12.5
err2023-06-23
err13
errOAAI
errChenthamarakshan, Vijil; Hoffman, Samuel C.; Owen, C. David; Lukacik, Petra; Strain-Damerell, Claire; Fearon, Daren; Malla, Tika R.; Tumber, Anthony; Schofield, Christopher J.; Duyvesteyn, Helen M. E.; Dejnirattisai, Wanwisa; Carrique, Loic; Walter, Thomas S.; Screaton, Gavin R.; Matviiuk, Tetiana; Mojsilovic, Aleksandra; Crain, Jason; Walsh, Martin A.; Stuart, David I.; Das, Payel
err分享
err收藏
The incentive gap in data work in the era of large models大模型时代数据工作的激励缺口
errNATURE MACHINE INTELLIGENCE
IF23.9
err2023-06-22
err2
PREAI
errGero, Katy Ilonka; Das, Payel; Dognin, Pierre; Padhi, Inkit; Sattigeri, Prasanna; Varshney, Kush R.
err分享
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A Small Step Toward Generalizability: Training a Machine Learning Scoring Function for Structure-Based Virtual Screening
errJOURNAL OF CHEMICAL INFORMATION AND MODELING
IF5.3
err2023-05-11
err22
errOAAI
errScantlebury, Jack; Vost, Lucy; Carbery, Anna; Hadfield, Thomas E.; Turnbull, Oliver M.; Brown, Nathan; Chenthamarakshan, Vijil; Das, Payel; Grosjean, Harold; von Delft, Frank; Deane, Charlotte M.
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Accelerating material design with the generative toolkit for scientific discovery
errNPJ COMPUTATIONAL MATERIALS
IF11.9
err2023-05-01
err11
errOAAI
errManica, Matteo; Born, Jannis; Cadow, Joris; Christofidellis, Dimitrios; Dave, Ashish; Clarke, Dean; Teukam, Yves Gaetan Nana; Giannone, Giorgio; Hoffman, Samuel C.; Buchan, Matthew; Chenthamarakshan, Vijil; Donovan, Timothy; Hsu, Hsiang Han; Zipoli, Federico; Schilter, Oliver; Kishimoto, Akihiro; Hamada, Lisa; Padhi, Inkit; Wehden, Karl; McHugh, Lauren; Khrabrov, Alexy; Das, Payel; Takeda, Seiji; Smith, John R.
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Ancestral SARS-CoV-2-Driven Antibody Repertoire Diversity in an Unvaccinated Individual Correlates with Expanded Neutralization Breadth
errMICROBIOLOGY SPECTRUM
IF3.8
err2023-04-13
err0
errOAAI
errDeshpande, Suprit; Ansari, Mohammed Yousuf; Sutar, Jyoti; Das, Payel; Hingankar, Nitin; Mukherjee, Sohini; Jayal, Priyanka; Singh, Savita; Anantharaj, Anbalagan; Singh, Janmejay; Chattopadhyay, Souvick; Raghavan, Sreevatsan; Gosain, Mudita; Chauhan, Supriya; Shrivas, Shweta; Prasad, Chaman; Chauhan, Sangeeta; Sharma, Neha; Jana, Pradipta; Thiruvengadam, Ramachandran; Kshetrapal, Pallavi; Wadhwa, Nitya; Das, Bhabatosh; Batra, Gaurav; Medigeshi, Guruprasad; Sok, Devin; Bhatnagar, Shinjini; Garg, Pramod Kumar; Bhattacharya, Jayanta
err分享
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Accurate clinical toxicity prediction using multi-task deep neural nets and contrastive molecular explanations使用多任务深度神经网络和对比分子解释进行准确的临床毒性预测
errSCIENTIFIC REPORTS
IF3.9
err2023-03-25
err34
errOAAI
errSharma, Bhanushee; Chenthamarakshan, Vijil; Dhurandhar, Amit; Pereira, Shiranee; Hendler, James A.; Dordick, Jonathan S.; Das, Payel
err分享
err收藏
Large-scale chemical language representations capture molecular structure and properties大规模化学语言表示捕获分子结构和性质
errNATURE MACHINE INTELLIGENCE
IF23.9
err2022-12-21
err99
errOAAI
errRoss, Jerret; Belgodere, Brian; Chenthamarakshan, Vijil; Padhi, Inkit; Mroueh, Youssef; Das, Payel
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err收藏
Explaining Artificial Intelligence Generation and Creativity Human interpretability for novel ideas and artifacts
errIEEE SIGNAL PROCESSING MAGAZINE
IF9.6
err2022-07-01
err11
PREAI
errDas, Payel; Varshney, Lav R.
err分享
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Optimizing molecules using efficient queries from property evaluations
errNATURE MACHINE INTELLIGENCE
IF23.9
err2021-12-30
err23
errOAAI
errHoffman, Samuel C.; Chenthamarakshan, Vijil; Wadhawan, Kahini; Chen, Pin-Yu; Das, Payel
err分享
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Machine learning models in the prediction of drug metabolism: challenges and future perspectives药物代谢预测中的机器学习模型: 挑战与未来展望
errEXPERT OPINION ON DRUG METABOLISM & TOXICOLOGY
IF3.4
err2021-11-02
err9
errOAAI
errLitsa, Eleni E.; Das, Payel; Kavraki, Lydia E.
err分享
err收藏
Accelerated antimicrobial discovery via deep generative models and molecular dynamics simulations (vol 5, pg 613, 2021)通过深度生成模型和分子动力学模拟加速抗菌发现 (第5卷，613页，2021)
errNATURE BIOMEDICAL ENGINEERING
IF26.6
err2021-06-28
err1
errOAAI
errDas, Payel; Sercu, Tom; Wadhawan, Kahini; Padhi, Inkit; Gehrmann, Sebastian; Cipcigan, Flaviu; Chenthamarakshan, Vijil; Strobelt, Hendrik; dos Santos, Cicero; Chen, Pin-Yu; Yang, Yi Yan; Tan, Jeremy P. K.; Hedrick, James; Crain, Jason; Mojsilovic, Aleksandra
err分享
err收藏
Accelerated antimicrobial discovery via deep generative models and molecular dynamics simulations通过深度生成模型和分子动力学模拟加速抗菌发现
errNATURE BIOMEDICAL ENGINEERING
IF26.6
err2021-03-11
err191
errOAAI
errDas, Payel; Sercu, Tom; Wadhawan, Kahini; Padhi, Inkit; Gehrmann, Sebastian; Cipcigan, Flaviu; Chenthamarakshan, Vijil; Strobelt, Hendrik; dos Santos, Cicero; Chen, Pin-Yu; Yang, Yi Yan; Tan, Jeremy P. K.; Hedrick, James; Crain, Jason; Mojsilovic, Aleksandra
err分享
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Active learning of deep surrogates for PDEs: application to metasurface design
errNPJ COMPUTATIONAL MATERIALS
IF11.9
err2020-10-29
err52
errOAAI
errPestourie, Raphael; Mroueh, Youssef; Nguyen, Thanh, V; Das, Payel; Johnson, Steven G.
err分享
err收藏

研究方向

暂无研究方向
合作学者
合作期刊
D
David I. Stuart
H 指数: 129 · 论文数: 1.1K
C
Christopher J. Schofield
H 指数: 112 · 论文数: 1.3K
J
James L. Hedrick
H 指数: 109 · 论文数: 516
G
Gavin Screaton
H 指数: 90 · 论文数: 431
S
Steven G. Johnson
H 指数: 89 · 论文数: 551
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