Siamese Foundation Models for Crystal Structure Prediction

13 March 2025

Papers citing "Siamese Foundation Models for Crystal Structure Prediction"

21 / 21 papers shown

Title
Materials Generation in the Era of Artificial Intelligence: A Comprehensive Survey Zhixun Li Bin Cao Rui Jiao Liang Wang Ding Wang ... Qiang Liu Yu Rong Liang Wang Tong-yi Zhang Jeffrey Xu Yu 3DV AI4CE 84 1 0 22 May 2025
MatterGen: a generative model for inorganic materials design Claudio Zeni Robert Pinsler Daniel Zügner Andrew Fowler Matthew Horton ... Han Yang Hongxia Hao Jielan Li Ryota Tomioka Tian Xie 76 105 0 06 Dec 2023
Crystal Structure Prediction by Joint Equivariant Diffusion Rui Jiao Wen-bing Huang Peijia Lin Jiaqi Han Pin Chen Yutong Lu Yang Liu DiffM 83 70 0 30 Jul 2023
GPT-4 Technical Report OpenAI OpenAI OpenAI Josh Achiam Steven Adler Sandhini Agarwal Lama Ahmad ... Shengjia Zhao Tianhao Zheng Juntang Zhuang William Zhuk Barret Zoph LLMAG MLLM 1.5K 14,761 0 15 Mar 2023
CrysGNN : Distilling pre-trained knowledge to enhance property prediction for crystalline materials Kishalay Das Bidisha Samanta Pawan Goyal Seung-Cheol Lee S. Bhattacharjee Niloy Ganguly 50 17 0 14 Jan 2023
Graph Contrastive Learning for Materials Teddy Koker Keegan Quigley Will Spaeth Nathan C. Frey Lin Li 53 5 0 24 Nov 2022
Equivariant Energy-Guided SDE for Inverse Molecular Design Fan Bao Min Zhao Zhongkai Hao Pei‐Yun Li Chongxuan Li Jun Zhu DiffM 260 67 0 30 Sep 2022
Crystal Twins: Self-supervised Learning for Crystalline Material Property Prediction Rishikesh Magar Yuyang Wang Amir Barati Farimani 73 58 0 04 May 2022
Video Diffusion Models Jonathan Ho Tim Salimans Alexey A. Gritsenko William Chan Mohammad Norouzi David J. Fleet DiffM VGen 219 1,642 0 07 Apr 2022
Equivariant Diffusion for Molecule Generation in 3D Emiel Hoogeboom Victor Garcia Satorras Clément Vignac Max Welling DiffM 133 623 0 31 Mar 2022
Crystal Diffusion Variational Autoencoder for Periodic Material Generation Tian Xie Xiang Fu O. Ganea Regina Barzilay Tommi Jaakkola DiffM BDL 264 249 0 12 Oct 2021
Inverse design of 3d molecular structures with conditional generative neural networks Niklas W. A. Gebauer M. Gastegger Stefaan S. P. Hessmann Klaus-Robert Muller Kristof T. Schütt AI4CE 238 177 0 10 Sep 2021
Maximum Likelihood Training of Score-Based Diffusion Models Yang Song Conor Durkan Iain Murray Stefano Ermon DiffM 173 673 0 22 Jan 2021
Denoising Diffusion Probabilistic Models Jonathan Ho Ajay Jain Pieter Abbeel DiffM 742 18,364 0 19 Jun 2020
Language Models are Few-Shot Learners Tom B. Brown Benjamin Mann Nick Ryder Melanie Subbiah Jared Kaplan ... Christopher Berner Sam McCandlish Alec Radford Ilya Sutskever Dario Amodei BDL 892 42,463 0 28 May 2020
On Layer Normalization in the Transformer Architecture Ruibin Xiong Yunchang Yang Di He Kai Zheng Shuxin Zheng Chen Xing Huishuai Zhang Yanyan Lan Liwei Wang Tie-Yan Liu AI4CE 153 996 0 12 Feb 2020
PyTorch: An Imperative Style, High-Performance Deep Learning Library Adam Paszke Sam Gross Francisco Massa Adam Lerer James Bradbury ... Sasank Chilamkurthy Benoit Steiner Lu Fang Junjie Bai Soumith Chintala ODL 556 42,639 0 03 Dec 2019
CrystalGAN: Learning to Discover Crystallographic Structures with Generative Adversarial Networks Asma Nouira Nataliya Sokolovska J. Crivello GAN 70 87 0 26 Oct 2018
SchNet: A continuous-filter convolutional neural network for modeling quantum interactions Kristof T. Schütt Pieter-Jan Kindermans Huziel Enoc Sauceda Felix Stefan Chmiela A. Tkatchenko K. Müller 157 1,087 0 26 Jun 2017
Attention Is All You Need Ashish Vaswani Noam M. Shazeer Niki Parmar Jakob Uszkoreit Llion Jones Aidan Gomez Lukasz Kaiser Illia Polosukhin 3DV 805 132,725 0 12 Jun 2017
Deep Residual Learning for Image Recognition Kaiming He Xinming Zhang Shaoqing Ren Jian Sun MedIm 2.3K 194,510 0 10 Dec 2015