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Commit 17ddf830 authored by ADRIAN AYUSO MUNOZ's avatar ADRIAN AYUSO MUNOZ
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W&B Readme

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README.md
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- **results**: Result files of the RepoDB test and the distribution plots (once these are generated). - **results**: Result files of the RepoDB test and the distribution plots (once these are generated).
- **testData**: Data to validate model using RepoDB. - **testData**: Data to validate model using RepoDB.
- **Code files:** - **Code files:**
- autoencoder (drug molecular embedder model) - autoencoder (drug molecular embedder model).
- dmsr (drug repurposing model) - dmsr (drug repurposing model).
- drug_embedding_generator (generates drug embeddings using SMILES representation). - drug_embedding_generator (generates drug embeddings using SMILES representation).
- heterograph_construction (build graph) - heterograph_construction (build graph).
- testRepoDB (validate model using RepoDB) - testRepoDB (validate model using RepoDB).
- topN (get topN new predictions) - testRepoDBWeightsAndBiases.py (validate model using RepoDB automatically with Weights&Biases).
- utilities (plotting utilities) - topN (get topN new predictions).
- utilities (plotting utilities).
## Summary ## Summary
Repository of Adrián Ayuso-Muñoz's master's final project "Graph Deep Learning for Drug Repurposing". Repository of Adrián Ayuso-Muñoz's master's final project "Graph Deep Learning for Drug Repurposing".
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