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1811.12823
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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
Xinyu Wang
Jinbo Bi
Minghu Song
CLL
40
44
0
01 May 2025
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
Seokho Kang
Kyunghyun Cho
BDL
122
162
0
30 Apr 2018
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
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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