XMOL: Explainable Multi-property Optimization of Molecules

12 September 2024

Papers citing "XMOL: Explainable Multi-property Optimization of Molecules"

7 / 7 papers shown

Title
Learning Flexible Forward Trajectories for Masked Molecular Diffusion Hyunjin Seo Taewon Kim Sihyun Yu SungSoo Ahn DiffM AI4CE 96 0 0 22 May 2025
GeoDiff: a Geometric Diffusion Model for Molecular Conformation Generation Minkai Xu Lantao Yu Yang Song Chence Shi Stefano Ermon Jian Tang BDL DiffM 116 502 0 06 Mar 2022
E(n) Equivariant Graph Neural Networks Victor Garcia Satorras Emiel Hoogeboom Max Welling 71 997 0 19 Feb 2021
Graph Convolutional Policy Network for Goal-Directed Molecular Graph Generation Jiaxuan You Bowen Liu Rex Ying Vijay S. Pande J. Leskovec GNN 267 895 0 07 Jun 2018
Junction Tree Variational Autoencoder for Molecular Graph Generation Wengong Jin Regina Barzilay Tommi Jaakkola 303 1,358 0 12 Feb 2018
A Unified Approach to Interpreting Model Predictions Scott M. Lundberg Su-In Lee FAtt 682 21,613 0 22 May 2017
"Why Should I Trust You?": Explaining the Predictions of Any Classifier Marco Tulio Ribeiro Sameer Singh Carlos Guestrin FAtt FaML 717 16,828 0 16 Feb 2016