edgarsmdn
ML + Chemical Engineering
Max Planck Institute for Dynamics of Complex Technical SystemsMagdeburg, Germany
Pinned Repositories
Aspen_HYSYS_Python
Aspen HYSYS - Python connection
Aspen_Plus_Python
An example connection between Aspen Plus and Python
GA
Genetic Algorithm
GH-GNN
Gibbs-Helmholtz Graph Neural Network
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"
MLCE_book
Hands-on material for a Machine Learning in Chemical Engineering course
OptiFunctions
Set of functions commonly used to test optimization algorithms
PSO
Particle Swarm Optimization algorithm
SolvSelect_GHGNN
Solvent selection for extractive distillation
TS
Tabu Search algorithm
edgarsmdn's Repositories
edgarsmdn/MLCE_book
Hands-on material for a Machine Learning in Chemical Engineering course
edgarsmdn/Aspen_HYSYS_Python
Aspen HYSYS - Python connection
edgarsmdn/Aspen_Plus_Python
An example connection between Aspen Plus and Python
edgarsmdn/GH-GNN
Gibbs-Helmholtz Graph Neural Network
edgarsmdn/TS
Tabu Search algorithm
edgarsmdn/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"
edgarsmdn/SolvSelect_GHGNN
Solvent selection for extractive distillation
edgarsmdn/OptiFunctions
Set of functions commonly used to test optimization algorithms
edgarsmdn/PSO
Particle Swarm Optimization algorithm
edgarsmdn/GA
Genetic Algorithm
edgarsmdn/OptML
Practical excersises for the Optimization course of CPSE 2020
edgarsmdn/edgarsmdn.github.io
Personal website
edgarsmdn/GH_GNN_Margules
GH-GNN model embedded into the extended Margules model for activity coefficient prediction
edgarsmdn/GP_flowsheet
Optimization of flowsheets using Gaussian processes
edgarsmdn/Joback
Joback group contribution method
edgarsmdn/SA
Simulated Annealing algorithm
edgarsmdn/thermo
Thermodynamics and Phase Equilibrium component of Chemical Engineering Design Library (ChEDL)
edgarsmdn/chemie-turk
Mechanical Turk on your own machine for chemical literature annotation
edgarsmdn/GraphNeuralNets_19
Graph Networks por Benjamin Sanchez-Lengeling
edgarsmdn/molecule-resolver
Find the structures for molecules
edgarsmdn/Poly_GHGNN
A modification of the GH-GNN model for polymer solutions
edgarsmdn/riiaa19_workshop_template
Template para un workshop dentro de la RIIAA'19
edgarsmdn/StoicMatrix
Generation of stoichiometric matrix from a reaction network