Local Atomic Environment Graph Representation (LAEGR).
LAEGR is an open-source Python library for extracting graph structure representation of local atomic environment and building GNN model to predict local/atomic properties.
Install LAGER: pip install laegr
Example folder has the instructions about how to use the LAEGR.
Author: Yi Yao (yyao26@crimson.ua.edu, yyao94@asu.edu), Lin Li.
Relevant works:
1 maintainer
Release files for laegr 1.1
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Source distribution (sdist)
| File | Size | Uploaded | |
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| laegr-1.1.tar.gz | 9.8 kB | Details |
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|---|---|---|---|---|
| laegr-1.1-py3-none-any.whl | Python 3 | none | any | Details |
Total release size: 22.8 kB
Release files / laegr-1.1.tar.gz
| Download URL | laegr-1.1.tar.gz |
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| Size | 9.8 kB |
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Release files / laegr-1.1-py3-none-any.whl
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| Size | 13.0 kB |
| Tags | Python 3 |
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