COLL Family
3 datasets | 139K total configurations
Train, test and validation splits of the COLL dataset, containing distorted configurations of small molecules during collision conditions.
Overview
Datasets
3
Total Downloads
131
Total Configurations
139K
Unique Elements
3
Property Types
3
Methods Used
1
Elements Included
3 Elements
Calculated Properties
3 Property Types
Methods
1 Methods
Software
1 Software
Member Datasets
3 Datasets
| Dataset Name | Downloads | Configurations | Elements | Properties | Links | |
|---|---|---|---|---|---|---|
|
COLL_test
Test set from COLL. Consists of configurations taken from molecular collisions of different small organic molecules. Ene...
|
25 | 9,480 | 3 | 3 | View DOI | |
|
COLL_train
Training set from COLL. Consists of configurations taken from molecular collisions of different small organic molecules....
|
77 | 119,965 | 3 | 3 | View DOI | |
|
COLL_validation
Validation set from COLL. Consists of configurations taken from molecular collisions of different small organic molecule...
|
29 | 9,999 | 3 | 3 | View DOI |