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https://github.com/MolecularAI/QSARtuna
QSARtuna: QSAR model building with the optuna framework
https://github.com/MolecularAI/QSARtuna
chemprop compchem computational-chemistry explainability hyperparameter-optimization optuna peptide-modelling qsar qsar-models uncertainty-estimation
Last synced: 1 day ago
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QSARtuna: QSAR model building with the optuna framework
- Host: GitHub
- URL: https://github.com/MolecularAI/QSARtuna
- Owner: MolecularAI
- Created: 2022-01-21T10:29:25.000Z (over 2 years ago)
- Default Branch: master
- Last Pushed: 2024-09-16T15:53:40.000Z (10 days ago)
- Last Synced: 2024-09-17T19:18:56.452Z (9 days ago)
- Topics: chemprop, compchem, computational-chemistry, explainability, hyperparameter-optimization, optuna, peptide-modelling, qsar, qsar-models, uncertainty-estimation
- Language: Jupyter Notebook
- Homepage: https://molecularai.github.io/QSARtuna/
- Size: 131 MB
- Stars: 89
- Watchers: 4
- Forks: 17
- Open Issues: 3
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Metadata Files:
- Readme: README.md
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