Molecule3D: A Benchmark for Predicting 3D Geometries from Molecular Graphs

30 September 2021

Papers citing "Molecule3D: A Benchmark for Predicting 3D Geometries from Molecular Graphs"

8 / 8 papers shown

Title
Efficient Biological Data Acquisition through Inference Set Design Ihor Neporozhnii Julien Roy Emmanuel Bengio Jason Hartford 31 0 0 25 Oct 2024
GeoMFormer: A General Architecture for Geometric Molecular Representation Learning Tianlang Chen Shengjie Luo Di He Shuxin Zheng Tie-Yan Liu Liwei Wang AI4CE 16 5 0 24 Jun 2024
Towards 3D Molecule-Text Interpretation in Language Models Sihang Li Zhiyuan Liu Yancheng Luo Xiang Wang Xiangnan He Kenji Kawaguchi Tat-Seng Chua Qi Tian AI4CE 13 42 0 25 Jan 2024
A Group Symmetric Stochastic Differential Equation Model for Molecule Multi-modal Pretraining Shengchao Liu Weitao Du Zhiming Ma Hongyu Guo Jian Tang 19 29 0 28 May 2023
GeoTMI:Predicting quantum chemical property with easy-to-obtain geometry via positional denoising Hyeonsu Kim Jeheon Woo Seonghwan Kim Seokhyun Moon Jun Hyeong Kim Woo Youn Kim AI4CE 11 6 0 28 Mar 2023
3DLinker: An E(3) Equivariant Variational Autoencoder for Molecular Linker Design Yinan Huang Xing Peng Jianzhu Ma Muhan Zhang BDL 15 46 0 15 May 2022
Machine Learning and Big Scientific Data Tony (Anthony) John Grenville Hey K. Butler Sam Jackson Jeyarajan Thiyagalingam AI4CE 18 74 0 12 Oct 2019
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 152 1,748 0 02 Mar 2017