ANI-2x Family
5 datasets | 47.1M total configurations
Datasets for an extension of the ANI-1x model, built to include sulphur and halogens.
Overview
Datasets
5
Total Downloads
570
Total Configurations
47.1M
Unique Elements
7
Property Types
2
Methods Used
4
Elements Included
7 Elements
Calculated Properties
2 Property Types
Methods
4 Methods
Software
2 Software
Related Families
1 Related Families
Member Datasets
5 Datasets
| Dataset Name | Downloads | Configurations | Elements | Properties | Links | |
|---|---|---|---|---|---|---|
|
ANI-2x-B973c-def2mTZVP
ANI-2x-B973c-def2mTZVP is a portion of the ANI-2x dataset, which includes DFT-calculated energies for structures from 2 ...
|
112 | 9,642,825 | 7 | 2 | View DOI | |
|
ANI-2x-wB97MD3BJ-def2TZVPP
ANI-2x-wB97MD3BJ-def2TZVPP is a portion of the ANI-2x dataset, which includes DFT-calculated energies for structures fro...
|
113 | 9,649,788 | 7 | 1 | View DOI | |
|
ANI-2x-wB97MV-def2TZVPP
ANI-2x-wB97MV-def2TZVPP is a portion of the ANI-2x dataset, which includes DFT-calculated energies for structures from 2...
|
118 | 9,649,797 | 7 | 1 | View DOI | |
|
ANI-2x-wB97X-631Gd
ANI-2x-wB97X-631Gd is a portion of the ANI-2x dataset, which includes DFT-calculated energies for structures from 2 to 6...
|
120 | 9,650,934 | 7 | 2 | View DOI | |
|
ANI-2x-wB97X-def2TZVPP
ANI-2x-wB97X-def2TZVPP is a portion of the ANI-2x dataset, which includes DFT-calculated energies for structures from 2 ...
|
107 | 8,481,522 | 7 | 1 | View DOI |