FastFlows: Flow-Based Models for Molecular Graph Generation

28 January 2022

Papers citing "FastFlows: Flow-Based Models for Molecular Graph Generation"

8 / 8 papers shown

Title
Open Source Infrastructure for Automatic Cell Segmentation Aaron Rock Menezes Bharath Ramsundar SSeg VLM 31 0 0 12 Sep 2024
Open Source Infrastructure for Differentiable Density Functional Theory Advika Vidhyadhiraja Arun Pa Thiagarajan Shang Zhu Venkat Viswanathan Bharath Ramsundar 19 0 0 27 Sep 2023
Group SELFIES: A Robust Fragment-Based Molecular String Representation Austin H. Cheng Andy Cai Santiago Miret Gustavo Malkomes Mariano Phielipp Alán Aspuru-Guzik 19 27 0 23 Nov 2022
Computer-Aided Multi-Objective Optimization in Small Molecule Discovery Jenna C. Fromer Connor W. Coley 21 66 0 13 Oct 2022
Graph neural networks for materials science and chemistry Patrick Reiser Marlen Neubert André Eberhard Luca Torresi Chen Zhou ... Houssam Metni Clint van Hoesel Henrik Schopmans T. Sommer Pascal Friederich GNN AI4CE 39 370 0 05 Aug 2022
SELFIES and the future of molecular string representations Mario Krenn Qianxiang Ai Senja Barthel Nessa Carson Angelo Frei ... Andrew Wang Andrew D. White A. Young Rose Yu A. Aspuru‐Guzik 32 147 0 31 Mar 2022
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 176 633 0 29 Nov 2018
Graph Convolutional Policy Network for Goal-Directed Molecular Graph Generation Jiaxuan You Bowen Liu Rex Ying Vijay S. Pande J. Leskovec GNN 200 885 0 07 Jun 2018