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FastFlows: Flow-Based Models for Molecular Graph Generation

FastFlows: Flow-Based Models for Molecular Graph Generation

28 January 2022
Nathan C. Frey
V. Gadepally
Bharath Ramsundar
ArXiv (abs)PDFHTMLGithub

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

6 / 6 papers shown
Open Source Infrastructure for Automatic Cell Segmentation
Open Source Infrastructure for Automatic Cell Segmentation
Aaron Rock Menezes
Bharath Ramsundar
SSegVLM
314
1
0
12 Sep 2024
Open Source Infrastructure for Differentiable Density Functional Theory
Open Source Infrastructure for Differentiable Density Functional Theory
Advika Vidhyadhiraja
Arun Pa Thiagarajan
Shang Zhu
Venkat Viswanathan
Bharath Ramsundar
156
1
0
27 Sep 2023
Group SELFIES: A Robust Fragment-Based Molecular String Representation
Group SELFIES: A Robust Fragment-Based Molecular String RepresentationDigital Discovery (DD), 2022
Austin H. Cheng
Andy Cai
Santiago Miret
Gustavo Malkomes
Mariano Phielipp
Alán Aspuru-Guzik
253
45
0
23 Nov 2022
Computer-Aided Multi-Objective Optimization in Small Molecule Discovery
Computer-Aided Multi-Objective Optimization in Small Molecule DiscoveryPatterns (Patterns), 2022
Jenna C. Fromer
Connor W. Coley
261
109
0
13 Oct 2022
Graph neural networks for materials science and chemistry
Graph neural networks for materials science and chemistryCommunications Materials (Commun. Mater.), 2022
Patrick Reiser
Marlen Neubert
André Eberhard
Luca Torresi
Chen Zhou
...
Houssam Metni
Clint van Hoesel
Henrik Schopmans
T. Sommer
Pascal Friederich
GNNAI4CE
431
697
0
05 Aug 2022
SELFIES and the future of molecular string representations
SELFIES and the future of molecular string representationsPatterns (Patterns), 2022
Mario Krenn
Qianxiang Ai
Senja Barthel
Nessa Carson
Angelo Frei
...
Andrew Wang
Andrew D. White
Adamo Young
Rose Yu
A. Aspuru‐Guzik
380
230
0
31 Mar 2022
1
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