Modular Flows: Differential Molecular Generation

Modular Flows: Differential Molecular Generation

12 October 2022

Markus Heinonen

Papers citing "Modular Flows: Differential Molecular Generation"

13 / 13 papers shown

Title
Heterophily-informed Message Passing Haishan Wang Arno Solin Vikas K. Garg 22 0 0 28 Apr 2025
Graph ODEs and Beyond: A Comprehensive Survey on Integrating Differential Equations with Graph Neural Networks Z. Liu Xiaoda Wang Bohan Wang Zijie Huang Carl Yang Wei-dong Jin AI4TS AI4CE 44 0 0 29 Mar 2025
Diffusion Twigs with Loop Guidance for Conditional Graph Generation Giangiacomo Mercatali Yogesh Verma André Freitas Vikas K. Garg 24 3 0 31 Oct 2024
GraphSPNs: Sum-Product Networks Benefit From Canonical Orderings Milan Papež Martin Rektoris Václav Šmídl Tomáš Pevný TPM 36 0 0 18 Aug 2024
What Ails Generative Structure-based Drug Design: Expressivity is Too Little or Too Much? Rafał Karczewski Samuel Kaski Markus Heinonen Vikas K. Garg 27 0 0 12 Aug 2024
Topological Neural Networks go Persistent, Equivariant, and Continuous Yogesh Verma Amauri H Souza Vikas K. Garg AI4CE 25 4 0 05 Jun 2024
Genetic algorithms are strong baselines for molecule generation Austin Tripp José Miguel Hernández-Lobato 24 16 0 13 Oct 2023
AbODE: Ab Initio Antibody Design using Conjoined ODEs Yogesh Verma Markus Heinonen Vikas K. Garg 16 18 0 31 May 2023
Provably expressive temporal graph networks Amauri Souza Diego Mesquita Samuel Kaski Vikas K. Garg 84 54 0 29 Sep 2022
Principal Component Density Estimation for Scenario Generation Using Normalizing Flows Eike Cramer Alexander Mitsos Raúl Tempone Manuel Dahmen 16 10 0 21 Apr 2021
GraphDF: A Discrete Flow Model for Molecular Graph Generation Youzhi Luo Keqiang Yan Shuiwang Ji DRL 157 185 0 01 Feb 2021
Molecular Sets (MOSES): A Benchmarking Platform for Molecular Generation Models Daniil Polykovskiy Alexander Zhebrak Benjamín Sánchez-Lengeling Sergey Golovanov Oktai Tatanov ... Simon Johansson Hongming Chen Sergey I. Nikolenko Alán Aspuru-Guzik Alex Zhavoronkov ELM 167 628 0 29 Nov 2018
Junction Tree Variational Autoencoder for Molecular Graph Generation Wengong Jin Regina Barzilay Tommi Jaakkola 208 1,329 0 12 Feb 2018