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Beam Enumeration: Probabilistic Explainability For Sample Efficient Self-conditioned Molecular Design
25 September 2023
Jeff Guo
P. Schwaller
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ArXiv
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Papers citing
"Beam Enumeration: Probabilistic Explainability For Sample Efficient Self-conditioned Molecular Design"
5 / 5 papers shown
Title
Small Molecule Optimization with Large Language Models
Philipp Guevorguian
Menua Bedrosian
Tigran Fahradyan
Gayane Chilingaryan
Hrant Khachatrian
Armen Aghajanyan
32
1
0
26 Jul 2024
Explainable AI: current status and future directions
Prashant Gohel
Priyanka Singh
M. Mohanty
XAI
81
87
0
12 Jul 2021
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
188
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
203
885
0
07 Jun 2018
Junction Tree Variational Autoencoder for Molecular Graph Generation
Wengong Jin
Regina Barzilay
Tommi Jaakkola
224
1,337
0
12 Feb 2018
1