官方服务:
资源简介:
OCP IS2RE all dataset https://github.com/Open-Catalyst-Project/ocp/blob/main/MODELS.md#is2re-models
应用场景:
创建时间:
2023-05-28
相关数据集
NIMS Materials Database
NIMS Materials Database(MatNavi)是日本国家材料科学研究所建立的综合性材料数据库。该数据库旨在促进新材料开发和材料选择,包含聚合物数据库、无机材料数据库、金属材料数据库、计算电子结构数据库等多个子库,涵盖化学结构、物理性能、晶体结构、相图等多种材料数据。用户可免费注册使用该数据库服务。
知名数据库3130
Predicting the Structure Stability of Layered Heteroanionic Materials Exhibiting Anion Order
We report a workflow for heteroanionic materials discovery using Pauling’s second rule to filter for and predict new candidate materials for synthesis with reduced computational overhead. Using oxyflu
Figshare2019-09-17 更新50
Prediction of Mechanical and Functional Features of Aged Rubber Composites Based on BR/SBR; Structure-Properties Correlation
In this study, the structure-properties relationship between the thermal factors of BR/SBR blends [normalize factor h BR 100 hBR 100 − hBR x, and the maximum peak temperature difference of th
NIAID Data Ecosystem30
Structure-property maps with kernel principal covariates regression
Data analyses based on linear methods constitute the simplest, most robust, and transparent approaches to the automatic processing of large amounts of data for building supervised or unsupervised mach
DataCite Commons2026-03-12 更新60
Data for: Intelligent optimization of concrete mix proportion based on big data
The data set includes the raw data of mix proportion test and the fitting prediction results of support vector machine.
Mendeley Data40



