xxMD Family
6 datasets | 173K total configurations
Overview
Total Downloads
250
Total Configurations
173K
Unique Elements
5
Property Types
2
Methods Used
2
Software Packages
2
Elements Included
5 Elements
Calculated Properties
2 Property Types
Methods
2 Methods
Software
2 Software
Member Datasets
6 Datasets
| Dataset Name | Downloads | Configurations | Elements | Properties | Links | |
|---|---|---|---|---|---|---|
|
xxMD-CASSCF_test
Test dataset from xxMD-CASSCF. The xxMD (Extended Excited-state Molecular Dynamics) dataset is a comprehensive collectio...
|
34 | 21,700 | 5 | 2 | View DOI | |
|
xxMD-CASSCF_train
Training dataset from xxMD-CASSCF. The xxMD (Extended Excited-state Molecular Dynamics) dataset is a comprehensive colle...
|
58 | 43,393 | 5 | 2 | View DOI | |
|
xxMD-CASSCF_validation
Validation dataset from xxMD-CASSCF. The xxMD (Extended Excited-state Molecular Dynamics) dataset is a comprehensive col...
|
48 | 21,616 | 5 | 2 | View DOI | |
|
xxMD-DFT_test
Test dataset from xxMD-DFT. The xxMD (Extended Excited-state Molecular Dynamics) dataset is a comprehensive collection o...
|
39 | 21,661 | 5 | 2 | View DOI | |
|
xxMD-DFT_train
Training dataset from xxMD-DFT. The xxMD (Extended Excited-state Molecular Dynamics) dataset is a comprehensive collecti...
|
26 | 43,385 | 5 | 2 | View DOI | |
|
xxMD-DFT_validation
Validation dataset from xxMD-DFT. The xxMD (Extended Excited-state Molecular Dynamics) dataset is a comprehensive collec...
|
45 | 21,605 | 5 | 2 | View DOI |