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Accelerating Material Design with the Generative Toolkit for Scientific
  Discovery

Accelerating Material Design with the Generative Toolkit for Scientific Discovery

8 July 2022
Matteo Manica
Jannis Born
Joris Cadow
Dimitrios Christofidellis
A. Dave
D. Clarke
Yves Gaëtan Nana Teukam
Giorgio Giannone
Samuel C. Hoffman
Matthew Buchan
Vijil Chenthamarakshan
Timothy Donovan
Hsiang-Han Hsu
F. Zipoli
Oliver Schilter
Akihiro Kishimoto
Lisa Hamada
Inkit Padhi
Karl Wehden
Lauren N. McHugh
Alexy Khrabrov
Payel Das
Seiji Takeda
John Smith
ArXivPDFHTML

Papers citing "Accelerating Material Design with the Generative Toolkit for Scientific Discovery"

8 / 8 papers shown
Title
Chemistry-Inspired Diffusion with Non-Differentiable Guidance
Chemistry-Inspired Diffusion with Non-Differentiable Guidance
Yuchen Shen
Chenhao Zhang
Sijie Fu
Chenghui Zhou
Newell Washburn
Barnabás Póczos
50
0
0
09 Oct 2024
Language models in molecular discovery
Language models in molecular discovery
Chaoqi Wang
Yibo Jiang
Chenghao Yang
Han Liu
Yuxin Chen
20
7
0
28 Sep 2023
Human-AI Co-Creation Approach to Find Forever Chemicals Replacements
Human-AI Co-Creation Approach to Find Forever Chemicals Replacements
J. Ferreira
V. Segura
J. G. R. Souza
Gabriel D. J. Barbosa
Joao Gallas
Renato F. G. Cerqueira
Dmitry Zubarev
12
0
0
11 Apr 2023
DiffDock: Diffusion Steps, Twists, and Turns for Molecular Docking
DiffDock: Diffusion Steps, Twists, and Turns for Molecular Docking
Gabriele Corso
Hannes Stärk
Bowen Jing
Regina Barzilay
Tommi Jaakkola
DiffM
139
409
0
04 Oct 2022
Protein Structure and Sequence Generation with Equivariant Denoising
  Diffusion Probabilistic Models
Protein Structure and Sequence Generation with Equivariant Denoising Diffusion Probabilistic Models
N. Anand
Tudor Achim
DiffM
187
173
0
26 May 2022
Molecular Sets (MOSES): A Benchmarking Platform for Molecular Generation
  Models
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
191
633
0
29 Nov 2018
Graph Convolutional Policy Network for Goal-Directed Molecular Graph
  Generation
Graph Convolutional Policy Network for Goal-Directed Molecular Graph Generation
Jiaxuan You
Bowen Liu
Rex Ying
Vijay S. Pande
J. Leskovec
GNN
203
885
0
07 Jun 2018
Junction Tree Variational Autoencoder for Molecular Graph Generation
Junction Tree Variational Autoencoder for Molecular Graph Generation
Wengong Jin
Regina Barzilay
Tommi Jaakkola
224
1,338
0
12 Feb 2018
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