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auto_discov_kin_rate_models

Complete code and data for reproducibility of results presented in paper.

bayesian-optimization-with-gps

An educational implementation of Bayesian optimization using Gaussian processes.

coding_workshop

This repository contains problem sets and updates to do with the OptiMaL PSE Coding Workshop.

control_neuralode

On the use of NeuralODEs as optimal control policies: I.O. Sandoval, P. Petsagkourakis, E. A. del Rio-Chanona, “Neural ODEs as Feedback Policies for Nonlinear Optimal Control” The 22nd World Congress of the International Federation of Automatic Control (IFAC 2023)

cuatro

data-driven-coordination

data-driven-distributionally-robust-mpc

dd-hierarchical

Exploring data-driven techniques for the hierarchical integration of planning, scheduling, and control

deepdock

Code related to : O. Mendez-Lucio, M. Ahmad, E.A. del Rio-Chanona, J.K. Wegner, A Geometric Deep Learning Approach to Predict Binding Conformations of Bioactive Molecules

evalretro

A repository for evaluating single-step retrosynthesis algorithms

expensive-black-box-optim-chemeng

gaussian-process-from-scratch

An educational implementation Gaussian processes.

humbo

imperial_latex_templates

Official LaTeX templates employing the Imperial College London brand.

lp_pyomo

A short educational implementation of Linear Programming in Pyomo.

ml-course

Supporting material for the ICL ChemEng department Machine Learning course

ml_coursework

pulsed-reactor-optimisation

This repository contains code to optimise the geometric parameters and operating conditions of a computational fluid dynamics model of a pulsed flow helical tube reactor.

reinforce-pse

P. Petsagkourakis, I. O. Sandoval, E. Bradford, D. Zhang, E.A. del Rio-Chanona, Reinforcement learning for batch bioprocess optimization, Computers & Chemical Engineering, Volume 133, 2020

rmpa