Crystal-LSBO: Automated Design of De Novo Crystals with Latent Space Bayesian Optimization

28 May 2024

Papers citing "Crystal-LSBO: Automated Design of De Novo Crystals with Latent Space Bayesian Optimization"

4 / 4 papers shown

Title
Conditional Latent Space Molecular Scaffold Optimization for Accelerated Molecular Design O. Boyar Hiroyuki Hanada I. Takeuchi BDL 40 0 0 03 Nov 2024
Adaptive Constraint Integration for Simultaneously Optimizing Crystal Structures with Multiple Targeted Properties Akihiro Fujii Yoshitaka Ushiku Koji Shimizu Anh Khoa Augustin Lu S. Watanabe 28 0 0 11 Oct 2024
Local Latent Space Bayesian Optimization over Structured Inputs Natalie Maus Haydn Thomas Jones Juston Moore Matt J. Kusner John Bradshaw Jacob R. Gardner BDL 51 69 0 28 Jan 2022
Crystal Diffusion Variational Autoencoder for Periodic Material Generation Tian Xie Xiang Fu O. Ganea Regina Barzilay Tommi Jaakkola DiffM BDL 212 232 0 12 Oct 2021