diff --git a/README.md b/README.md index 141c53e6dcfd5507926a109dd89c4b4e18258970..9f2322237b00e09e75f70729205f742f585dc6db 100644 --- a/README.md +++ b/README.md @@ -8,13 +8,14 @@ - **results**: Result files of the RepoDB test and the distribution plots (once these are generated). - **testData**: Data to validate model using RepoDB. - **Code files:** - - autoencoder (drug molecular embedder model) - - dmsr (drug repurposing model) + - autoencoder (drug molecular embedder model). + - dmsr (drug repurposing model). - drug_embedding_generator (generates drug embeddings using SMILES representation). - - heterograph_construction (build graph) - - testRepoDB (validate model using RepoDB) - - topN (get topN new predictions) - - utilities (plotting utilities) + - heterograph_construction (build graph). + - testRepoDB (validate model using RepoDB). + - testRepoDBWeightsAndBiases.py (validate model using RepoDB automatically with Weights&Biases). + - topN (get topN new predictions). + - utilities (plotting utilities). ## Summary Repository of Adrián Ayuso-Muñoz's master's final project "Graph Deep Learning for Drug Repurposing". \ No newline at end of file