edgarsmdn/MLCE_book

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edgarsmdn/MLCE_book

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Hands-on material for a Machine Learning in Chemical Engineering course

Aspen_HYSYS_Python

Aspen HYSYS - Python connection

TS

Tabu Search algorithm

GH-GNN

Gibbs-Helmholtz Graph Neural Network

Jupyter Notebook

GNN_IAC

This repository contains the training routines and the experiments presented in the paper "Graph Neural Networks for the prediction of infinite dilution activity coefficients"

OptiFunctions

Set of functions commonly used to test optimization algorithms

MLCE_OVGU

Set of exercises for the course Machine Learning in Chemical Engineering offered at the OVGU

Jupyter Notebook

PSO

Particle Swarm Optimization algorithm

Aspen_Plus_Python

An example connection between Aspen Plus and Python

GA

Genetic Algorithm

SA

Simulated Annealing algorithm

GP_flowsheet

Optimization of flowsheets using Gaussian processes

Joback

Joback group contribution method