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Edgar Ivan Sanchez Medina's Projects

chemie-turk icon chemie-turk

Mechanical Turk on your own machine for chemical literature annotation

ga icon ga

Genetic Algorithm

gh-gnn icon gh-gnn

Gibbs-Helmholtz Graph Neural Network

gnn_iac icon 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"

joback icon joback

Joback group contribution method

mlce_book icon mlce_book

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

optifunctions icon optifunctions

Set of functions commonly used to test optimization algorithms

optml icon optml

Practical excersises for the Optimization course of CPSE 2020

poly_ghgnn icon poly_ghgnn

A modification of the GH-GNN model for polymer solutions

pso icon pso

Particle Swarm Optimization algorithm

sa icon sa

Simulated Annealing algorithm

stoicmatrix icon stoicmatrix

Generation of stoichiometric matrix from a reaction network

thermo icon thermo

Thermodynamics and Phase Equilibrium component of Chemical Engineering Design Library (ChEDL)

ts icon ts

Tabu Search algorithm

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