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Fiora is an in silico fragmentation algorithm for small compounds and produces simulated tandem mass spectra (MS/MS). The framework uses a graph neural network as the core module and edge prediction to identify likely bond cleavages and fragment ion intensities.
Time Series Forecasting for solar activity. Applied numerous Machine Learning Algorithms (GNN, LSTM, XGBoost) to improve predictions and compared them.
This repository contains code implementations for Graph Neural Networks (GNNs). GNNs are a category of deep learning models tailored for tasks involving graph-structured data. The provided code enables users to explore and apply GNNs for tasks such as node classification, link prediction, and graph classification.