Auto-Encoding Molecular Conformations

Auto-Encoding Molecular Conformations

5 January 2021

Frank Noé

Djork-Arné Clevert

Papers citing "Auto-Encoding Molecular Conformations"

4 / 4 papers shown

Title
Implicit Transfer Operator Learning: Multiple Time-Resolution Surrogates for Molecular Dynamics M. Schreiner Ole Winther Simon Olsson OOD AI4CE 30 13 0 29 May 2023
Direct Molecular Conformation Generation Jinhua Zhu Yingce Xia Chang-Shu Liu Lijun Wu Shufang Xie ... Tao Qin Wen-gang Zhou Houqiang Li Haiguang Liu Tie-Yan Liu 17 40 0 03 Feb 2022
Equivalent Distance Geometry Error for Molecular Conformation Comparison Shuwen Yang Tianyu Wen Ziyao Li Guojie Song 11 0 0 13 Nov 2021
Learning 3D Representations of Molecular Chirality with Invariance to Bond Rotations Keir Adams L. Pattanaik Connor W. Coley 13 32 0 08 Oct 2021