Published September 7, 2021
| Version v1.0
Software
Open
GNN For Predicting Energy of Known and Hypothetical Structures
- 1. Colorado School of Mines
- 2. National Renewable Energy Laboratory
Description
Provides training data and pre-trained models, and scripts for training new models with custom datasets and testing new crystal structures.
Files
prashungorai/combined-gnn-v1.0.zip
Files
(112.7 MB)
| Name | Size | Download all |
|---|---|---|
|
md5:9627606a062787332524d7c442724233
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112.7 MB | Preview Download |
Additional details
Related works
- Is supplement to
- https://github.com/prashungorai/combined-gnn/tree/v1.0 (URL)