25-27th December: 2 hours each day to read about molecular prediction and understanding TDC datasets. Understood SMILEs and embeddings.
28-31st December: Analysed GNN and used different libraries for prediction and wrote a GNN from scratch to understand the the concepts.
1st to 3rd January: Implemented the code and benchmarked upon auc-roc curve. Trained a GNN, MPNN, transformer and a XGBoost model.