Published January 19, 2026
| Version v.0.1.1
Software
Open
MetalHawk: Enhanced Classification of Metal Coordination Geometries by Artificial Neural Networks
Description
A machine learning-based approach for classifying metal site geometry.
Notes (English)
This work is described in detail in:
- Gianmattia Sgueglia, Michail D. Vrettas, Marco Chino, Alfonso De Simone and Angela Lombardi (2023). "MetalHawk: Enhanced Classification of Metal Coordination Geometries by Artificial Neural Networks". Journal of Chemical Information and Modeling, DOI: 10.1021/acs.jcim.3c00873.
Files
vrettasm/MetalHawk-v.0.1.1.zip
Files
(2.7 MB)
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md5:194326530f37160e0bee4c3bfcd034f1
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Additional details
Identifiers
Related works
- Is supplement to
- Software: https://github.com/vrettasm/MetalHawk/tree/v.0.1.1 (URL)
Software
- Repository URL
- https://github.com/vrettasm/MetalHawk
- Programming language
- Python