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Scientific Reports
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July 2, 2025
AlphaFold distillation for inverse protein design
Igor Melnyk, Aurélie Lozano, Payel Das, et al.
Communications Chemistry
|
June 23, 2023
An end-to-end deep learning framework for translating mass spectra to de-novo molecules
Eleni E Litsa, Vijil Chenthamarakshan, Payel Das, et al.
Proceedings of Machine Learning Research
|
August 23, 2021
Fold2Seq: A Joint Sequence(1D)-Fold(3D) Embedding-based Generative Model for Protein Design
Yue Cao, Payel Das, Vijil Chenthamarakshan, et al.
Scientific Reports
|
March 25, 2023
Accurate clinical toxicity prediction using multi-task deep neural nets and contrastive molecular explanations
Bhanushee Sharma, Vijil Chenthamarakshan, Amit Dhurandhar, et al.
Arxiv
|
December 16, 2024
Multi-Scale Representation Learning for Protein Fitness Prediction
Zuobai Zhang, Pascal Notin, Yining Huang, et al.
Scientific Reports
|
August 12, 2025
Property-driven localization and characterization in deep molecular representations
Celia Cintas, Payel Das, Jerret Ross, et al.
Journal of Chemical Information and Modeling
|
May 11, 2023
A Small Step Toward Generalizability: Training a Machine Learning Scoring Function for Structure-Based Virtual Screening
Jack Scantlebury, Lucy Vost, Anna Carbery, et al.
Nature Biomedical Engineering
|
March 12, 2021
Accelerated antimicrobial discovery via deep generative models and molecular dynamics simulations
Payel Das, Tom Sercu, Kahini Wadhawan, et al.
Nature Biomedical Engineering
|
June 29, 2021
Author Correction: Accelerated antimicrobial discovery via deep generative models and molecular dynamics simulations
Payel Das, Tom Sercu, Kahini Wadhawan, et al.
Science Advances
|
June 21, 2023
Accelerating drug target inhibitor discovery with a deep generative foundation model
Vijil Chenthamarakshan, Samuel C Hoffman, C David Owen, et al.
Page
of 1
Search research articles
Search
Showing results (1-10 of 10) with videos related to
Sort By:
Page
of 1
Scientific Reports
|
July 2, 2025
AlphaFold distillation for inverse protein design
Igor Melnyk, Aurélie Lozano, Payel Das, et al.
Communications Chemistry
|
June 23, 2023
An end-to-end deep learning framework for translating mass spectra to de-novo molecules
Eleni E Litsa, Vijil Chenthamarakshan, Payel Das, et al.
Proceedings of Machine Learning Research
|
August 23, 2021
Fold2Seq: A Joint Sequence(1D)-Fold(3D) Embedding-based Generative Model for Protein Design
Yue Cao, Payel Das, Vijil Chenthamarakshan, et al.
Scientific Reports
|
March 25, 2023
Accurate clinical toxicity prediction using multi-task deep neural nets and contrastive molecular explanations
Bhanushee Sharma, Vijil Chenthamarakshan, Amit Dhurandhar, et al.
Arxiv
|
December 16, 2024
Multi-Scale Representation Learning for Protein Fitness Prediction
Zuobai Zhang, Pascal Notin, Yining Huang, et al.
Scientific Reports
|
August 12, 2025
Property-driven localization and characterization in deep molecular representations
Celia Cintas, Payel Das, Jerret Ross, et al.
Journal of Chemical Information and Modeling
|
May 11, 2023
A Small Step Toward Generalizability: Training a Machine Learning Scoring Function for Structure-Based Virtual Screening
Jack Scantlebury, Lucy Vost, Anna Carbery, et al.
Nature Biomedical Engineering
|
March 12, 2021
Accelerated antimicrobial discovery via deep generative models and molecular dynamics simulations
Payel Das, Tom Sercu, Kahini Wadhawan, et al.
Nature Biomedical Engineering
|
June 29, 2021
Author Correction: Accelerated antimicrobial discovery via deep generative models and molecular dynamics simulations
Payel Das, Tom Sercu, Kahini Wadhawan, et al.
Science Advances
|
June 21, 2023
Accelerating drug target inhibitor discovery with a deep generative foundation model
Vijil Chenthamarakshan, Samuel C Hoffman, C David Owen, et al.
Page
of 1