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https://github.com/drkenreid/vae-for-molecule-discovery
A Variational Autoencoder in Google Colab to generate and visualize novel molecular structures for potential drug discovery applications, using the QM9 dataset and SMILES representation.
https://github.com/drkenreid/vae-for-molecule-discovery
drug-discovery molecule-generation molecule-visualization qm9 smiles smiles-strings vae variational-autoencoder
Last synced: 12 days ago
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A Variational Autoencoder in Google Colab to generate and visualize novel molecular structures for potential drug discovery applications, using the QM9 dataset and SMILES representation.
- Host: GitHub
- URL: https://github.com/drkenreid/vae-for-molecule-discovery
- Owner: DrKenReid
- License: mit
- Created: 2024-08-21T14:17:59.000Z (3 months ago)
- Default Branch: main
- Last Pushed: 2024-08-21T20:22:10.000Z (3 months ago)
- Last Synced: 2024-08-22T16:19:49.644Z (3 months ago)
- Topics: drug-discovery, molecule-generation, molecule-visualization, qm9, smiles, smiles-strings, vae, variational-autoencoder
- Language: Jupyter Notebook
- Homepage:
- Size: 32.2 KB
- Stars: 1
- Watchers: 1
- Forks: 0
- Open Issues: 0