edgarsmdn/GNN_IAC edgarsmdn/GNN_IAC

  • Stars
    star
    5
  • Rank 2,861,937 (Top 57 %)
  • Language
    Python
  • License
    MIT License
  • Created about 3 years ago
  • Updated almost 2 years ago
Twitter logo Share LinkedIn logo Share Facebook logo Share
edgarsmdn/GNN_IAC
github

edgarsmdn

Reviews

There are no reviews yet. Be the first to send feedback to the community and the maintainers!

Repository Details

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

More Repositories

1

Aspen_HYSYS_Python

Aspen HYSYS - Python connection
Python
22
star
2

TS

Tabu Search algorithm
Python
11
star
3

GH-GNN

Gibbs-Helmholtz Graph Neural Network
Jupyter Notebook
6
star
4

MLCE_book

Hands-on material for a Machine Learning in Chemical Engineering course
Jupyter Notebook
3
star
5

OptiFunctions

Set of functions commonly used to test optimization algorithms
Python
3
star
6

MLCE_OVGU

Set of exercises for the course Machine Learning in Chemical Engineering offered at the OVGU
Jupyter Notebook
2
star
7

PSO

Particle Swarm Optimization algorithm
Python
2
star
8

Aspen_Plus_Python

An example connection between Aspen Plus and Python
Ada
2
star
9

GA

Genetic Algorithm
Python
1
star
10

SA

Simulated Annealing algorithm
Python
1
star
11

GP_flowsheet

Optimization of flowsheets using Gaussian processes
Python
1
star
12

Joback

Joback group contribution method
Python
1
star