CHILI: Chemically-Informed Large-scale Inorganic Nanomaterials Dataset for Advancing Graph Machine Learning

20 February 2024

Papers citing "CHILI: Chemically-Informed Large-scale Inorganic Nanomaterials Dataset for Advancing Graph Machine Learning"

6 / 6 papers shown

Title
$deCIFer: Crystal Structure Prediction from Powder Diffraction Data using Autoregressive Language Models$ deCIFer: Crystal Structure Prediction from Powder Diffraction Data using Autoregressive Language Models Frederik L. Johansen Ulrik Friis-Jensen Erik B. Dam Kirsten M. Ø. Jensen Rocío Mercado Raghavendra Selvan 83 0 0 04 Feb 2025
UniIF: Unified Molecule Inverse Folding Zhangyang Gao Jue Wang Cheng Tan Lirong Wu Yufei Huang Siyuan Li Zhirui Ye Stan Z. Li 37 4 0 29 May 2024
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
The Open Catalyst 2020 (OC20) Dataset and Community Challenges L. Chanussot Abhishek Das Siddharth Goyal Thibaut Lavril Muhammed Shuaibi ... Brandon M. Wood Junwoong Yoon Devi Parikh C. L. Zitnick Zachary W. Ulissi 232 503 0 20 Oct 2020
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 172 1,778 0 02 Mar 2017
Geometric deep learning: going beyond Euclidean data M. Bronstein Joan Bruna Yann LeCun Arthur Szlam P. Vandergheynst GNN 253 3,239 0 24 Nov 2016