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https://github.com/quantori/structure-seer
The implementation, training and evaluation of a Structure Seer machine learning model designed for reconstruction of adjacency of a molecular graph from the labelling of its nodes.
https://github.com/quantori/structure-seer
cheminformatics graph graph-convolutional-network machine-learning ml molecular-graph molecular-graph-learning molecule molecule-generation nmr-data nmr-spectroscopy
Last synced: 4 days ago
JSON representation
The implementation, training and evaluation of a Structure Seer machine learning model designed for reconstruction of adjacency of a molecular graph from the labelling of its nodes.
- Host: GitHub
- URL: https://github.com/quantori/structure-seer
- Owner: quantori
- License: apache-2.0
- Created: 2023-12-07T16:45:51.000Z (11 months ago)
- Default Branch: main
- Last Pushed: 2024-01-11T11:40:18.000Z (10 months ago)
- Last Synced: 2024-10-17T02:27:39.529Z (20 days ago)
- Topics: cheminformatics, graph, graph-convolutional-network, machine-learning, ml, molecular-graph, molecular-graph-learning, molecule, molecule-generation, nmr-data, nmr-spectroscopy
- Language: Python
- Homepage:
- Size: 43.2 MB
- Stars: 1
- Watchers: 1
- Forks: 1
- Open Issues: 0