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Molecular Sets (MOSES): A Benchmarking Platform for Molecular Generation
  Models

Molecular Sets (MOSES): A Benchmarking Platform for Molecular Generation Models

29 November 2018
Daniil Polykovskiy
Alexander Zhebrak
Benjamín Sánchez-Lengeling
Sergey Golovanov
Oktai Tatanov
Stanislav Belyaev
Rauf Kurbanov
A. Artamonov
V. Aladinskiy
M. Veselov
Artur Kadurin
Simon Johansson
Hongming Chen
Sergey I. Nikolenko
Alán Aspuru-Guzik
Alex Zhavoronkov
    ELM
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Papers citing "Molecular Sets (MOSES): A Benchmarking Platform for Molecular Generation Models"

5 / 5 papers shown
Title
Leveraging Partial SMILES Validation Scheme for Enhanced Drug Design in Reinforcement Learning Frameworks
Leveraging Partial SMILES Validation Scheme for Enhanced Drug Design in Reinforcement Learning Frameworks
Xinyu Wang
Jinbo Bi
Minghu Song
CLL
40
44
0
01 May 2025
Pretraining Generative Flow Networks with Inexpensive Rewards for Molecular Graph Generation
Pretraining Generative Flow Networks with Inexpensive Rewards for Molecular Graph Generation
Mohit Pandey
G. Subbaraj
Artem Cherkasov
Martin Ester
Emmanuel Bengio
AI4CE
39
75
0
08 Mar 2025
Conditional molecular design with deep generative models
Conditional molecular design with deep generative models
Seokho Kang
Kyunghyun Cho
BDL
122
162
0
30 Apr 2018
Junction Tree Variational Autoencoder for Molecular Graph Generation
Junction Tree Variational Autoencoder for Molecular Graph Generation
Wengong Jin
Regina Barzilay
Tommi Jaakkola
200
1,192
0
12 Feb 2018
MoleculeNet: A Benchmark for Molecular Machine Learning
MoleculeNet: A Benchmark for Molecular Machine Learning
Zhenqin Wu
Bharath Ramsundar
Evan N. Feinberg
Joseph Gomes
C. Geniesse
Aneesh S. Pappu
K. Leswing
Vijay S. Pande
OOD
140
1,481
0
02 Mar 2017
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