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Augmenting Molecular Deep Generative Models with Topological Data
Analysis Representations

v1v2 (latest)

Augmenting Molecular Deep Generative Models with Topological Data Analysis Representations

IEEE International Conference on Acoustics, Speech, and Signal Processing (ICASSP), 2021

8 June 2021

Vijil Chenthamarakshan

Samuel C. Hoffman

Karthikeyan N. Ramamurthy

ArXiv (abs)PDF HTML

Papers citing "Augmenting Molecular Deep Generative Models with Topological Data Analysis Representations"

5 / 5 papers shown

LightGBM robust optimization algorithm based on topological data
analysis

LightGBM robust optimization algorithm based on topological data analysis

Yongqing Hu

185

5

0

19 Jun 2024

GP-MoLFormer: A Foundation Model For Molecular Generation

GP-MoLFormer: A Foundation Model For Molecular GenerationDigital Discovery (DD), 2024

Brian M. Belgodere

Samuel C. Hoffman

Vijil Chenthamarakshan

Payel Das

399

21

0

04 Apr 2024

Deep Learning Methods for Small Molecule Drug Discovery: A Survey

Deep Learning Methods for Small Molecule Drug Discovery: A SurveyIEEE Transactions on Artificial Intelligence (IEEE TAI), 2023

415

19

0

01 Mar 2023

Accelerating Inhibitor Discovery With A Deep Generative Foundation
Model: Validation for SARS-CoV-2 Drug Targets

Accelerating Inhibitor Discovery With A Deep Generative Foundation Model: Validation for SARS-CoV-2 Drug Targets

Vijil Chenthamarakshan

Samuel C. Hoffman

C. Strain-Damerell

...

Aleksandra Mojsilović

Martin A. Walsh

David I. Stuart

283

0

0

19 Apr 2022

Data-Efficient Graph Grammar Learning for Molecular Generation

Data-Efficient Graph Grammar Learning for Molecular GenerationInternational Conference on Learning Representations (ICLR), 2022

Wojciech Matusik

237

45

0

15 Mar 2022

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