MOFTransformer

Figshare2022-06-01 更新2026-04-28 收录

金属有机框架

材料性能预测

数据链接：

https://figshare.com/articles/dataset/MOFformer/19947767 数据链接链接失效反馈

官方服务：

资源简介：

- best_mtp_moc_vfp : pretrained model with 1M hMOFs - dataset for public database (qmof_v13_realse.tar.gz, coremof_release.tar.gz) - downstream dataset for finetuning (downstream_dataset.tar.gz)

创建时间：

2022-06-01

Materials Data on Li4Ti2Co3Sn3O16 by Materials Project

计算材料学

材料性能预测

Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For

DataCite Commons2021-02-04 更新70

二维铁电材料

铁电材料设计

材料性能预测

铁电材料数据集主要源自高通量计算和文献挖掘，涵盖从第一性原理计算到实验表征的多层次信息：例如基于Materials Project自动筛选出的数百种新型铁电体、从4万余篇论文中提取的近三千条高质量铁电相变数据，以及针对特定材料（如铪基、PZT陶瓷、二维多铁）的精细实验数据。近年来，这些数据已与深度学习、交互式平台深度融合，催生出如FerroAI（20秒生成相图、预测准确率超80%）和PTST极化拓

中国科学院兰州化学物理研究所科学数据中心2026-06-08 更新50

Six New 2D or 3D Metal–Organic Frameworks Based on Bithiophene-Containing Ligand and Dicarboxylates: Syntheses, Structures, and Properties

金属有机框架

晶体结构表征

Six new metal–organic frameworks (MOFs), namely, {[Cd(BPBP)0.5(hfipbb)]·0.5DMF}n (1), {[Zn(BPBP)0.5(hfipbb)]}n (2), {[Co(BPBP)0.5(hfipbb)·0.5DMF]}n (3), {[Zn(BPBP)(trans-chdc)]·H2O}n (4), {[Zn2(B

NIAID Data Ecosystem30

Database on ANN-Based Performance Evaluation of Composite Recycled Mortar

材料性能预测

人工神经网络

The recycling of construction waste is crucial for environmental preservation and sustainable progress. By integrating construction waste into mortar production, substantial reductions in carbon emiss

科学数据银行2025-07-11 更新50

Data for: The sized controlled synthesis of MIL-101(Cr) with enhanced CO2 adsorption property

金属有机框架

二氧化碳吸附

The file including XRD, gas adsorption results and SEM images. The downloded MIL-101 CIF file is also attached.

NIAID Data Ecosystem40