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Fold2Seq: A Joint Sequence(1D)-Fold(3D) Embedding-based Generative Model for Protein Design


Jun 24, 2021
Yue Cao, Payel Das, Vijil Chenthamarakshan, Pin-Yu Chen, Igor Melnyk, Yang Shen

* ICML 2021 

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Do Large Scale Molecular Language Representations Capture Important Structural Information?


Jun 17, 2021
Jerret Ross, Brian Belgodere, Vijil Chenthamarakshan, Inkit Padhi, Youssef Mroueh, Payel Das

* 17 pages, 3 figures 

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Augmenting Molecular Deep Generative Models with Topological Data Analysis Representations


Jun 08, 2021
Yair Schiff, Vijil Chenthamarakshan, Samuel Hoffman, Karthikeyan Natesan Ramamurthy, Payel Das


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Optimizing Molecules using Efficient Queries from Property Evaluations


Nov 03, 2020
Samuel Hoffman, Vijil Chenthamarakshan, Kahini Wadhawan, Pin-Yu Chen, Payel Das


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Characterizing the Latent Space of Molecular Deep Generative Models with Persistent Homology Metrics


Oct 18, 2020
Yair Schiff, Vijil Chenthamarakshan, Karthikeyan Natesan Ramamurthy, Payel Das


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Explaining Chemical Toxicity using Missing Features


Sep 23, 2020
Kar Wai Lim, Bhanushee Sharma, Payel Das, Vijil Chenthamarakshan, Jonathan S. Dordick


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Accelerating Antimicrobial Discovery with Controllable Deep Generative Models and Molecular Dynamics


May 22, 2020
Payel Das, Tom Sercu, Kahini Wadhawan, Inkit Padhi, Sebastian Gehrmann, Flaviu Cipcigan, Vijil Chenthamarakshan, Hendrik Strobelt, Cicero dos Santos, Pin-Yu Chen, Yi Yan Yang, Jeremy Tan, James Hedrick, Jason Crain, Aleksandra Mojsilovic


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Learning Implicit Text Generation via Feature Matching


May 09, 2020
Inkit Padhi, Pierre Dognin, Ke Bai, Cicero Nogueira dos Santos, Vijil Chenthamarakshan, Youssef Mroueh, Payel Das

* ACL 2020 

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Target-Specific and Selective Drug Design for COVID-19 Using Deep Generative Models


Apr 02, 2020
Vijil Chenthamarakshan, Payel Das, Inkit Padhi, Hendrik Strobelt, Kar Wai Lim, Ben Hoover, Samuel C. Hoffman, Aleksandra Mojsilovic


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A Sequential Set Generation Method for Predicting Set-Valued Outputs


Mar 12, 2019
Tian Gao, Jie Chen, Vijil Chenthamarakshan, Michael Witbrock

* Published at AAAI 2019 

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PepCVAE: Semi-Supervised Targeted Design of Antimicrobial Peptide Sequences


Oct 22, 2018
Payel Das, Kahini Wadhawan, Oscar Chang, Tom Sercu, Cicero Dos Santos, Matthew Riemer, Inkit Padhi, Vijil Chenthamarakshan, Aleksandra Mojsilovic


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A Study on Passage Re-ranking in Embedding based Unsupervised Semantic Search


May 28, 2018
Md Faisal Mahbub Chowdhury, Vijil Chenthamarakshan, Rishav Chakravarti, Alfio M. Gliozzo

* Updated title, abstract, some minor edits in the body. Added new results using universal sentence embedding 

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Fairness GAN


May 24, 2018
Prasanna Sattigeri, Samuel C. Hoffman, Vijil Chenthamarakshan, Kush R. Varshney


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WYSIWYE: An Algebra for Expressing Spatial and Textual Rules for Visual Information Extraction


Sep 27, 2016
Vijil Chenthamarakshan, Prasad M Desphande, Raghu Krishnapuram, Ramakrishna Varadarajan, Knut Stolze


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