GSI Research Group
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Repositories
- gc-gnnv2 Public Forked from arnaou/gc-gnn
Interpretable graph neural networks with group-embedded molecular representations for predicting pure compound properties
- IbuprofenModularDesign Public
Repository for modular design and dynamic adjustment strategy for enhanced economic resilience of ibuprofen continuous manufacturing process
- MOSKopt_Python Public
Advanced simulation-based optimization framework with AVEVA™ Process Simulation integration, featuring enhanced acquisition functions and robust failure handling.
- gc-gnn-papers Public Forked from arnaou/gc-gnn-papers
Reproduction of results from the development and application of GC-GNN (2023) on pure component properties
- ammonium-nitrate-evt-2026 Public
Companion Mathematica notebooks and symbolic derivations for the paper "Applying Extreme Value Theory to a Century of Ammonium Nitrate Disasters" (Risk Analysis, 2026, DOI: 10.1111/risa.70194)
- FlexiblePtA_Economics Public
- globalsensitivityanalysis Public
This repository contains an implementation of the Morris screening method for global sensitivity analysis, based on the work by Morris (1991) and Campolongo and Saltelli (1997). The method is used to identify the most influential input parameters in a model by generating elementary effects.
- fair_gc Public Forked from arnaou/fair_gc
A repository for "Fairer Benchmark of Group Contribution and Machine Learning Models for Property Prediction: A New Data Splitting Strategy"
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