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    28 repositories

    • MolPrice

      Public
      Fast synthetic accessibility evaluation for fine chemicals, based on molecular price
      Python
      •1•5•0•0•Updated Apr 3, 2025Apr 3, 2025

    • auto_react_mech_construct

      Public
      Python
      •
      Apache License 2.0
      •1•1•0•0•Updated Mar 3, 2025Mar 3, 2025

    • cdt_alicante_workshop

      Public
      cdt_alicante_workshop
      Jupyter Notebook
      •0•0•0•0•Updated Feb 18, 2025Feb 18, 2025

    • DDO-4-ChemEng

      Public
      Code running in parallel with book chapter "Data-driven optimization for chemical processes: machine learning and artificial intelligence".
      Jupyter Notebook
      •4•5•0•0•Updated Dec 19, 2024Dec 19, 2024

    • DDMPC-Coursework

      Public
      DDMPC Coursework for the ML4CE Course at ICL
      Python
      •3•2•0•0•Updated Nov 28, 2024Nov 28, 2024

    • Imperial-ML4CE-Course

      Public
      Imperial Chemical Engineering Machine Learning Course
      Jupyter Notebook
      •4•7•0•0•Updated Oct 25, 2024Oct 25, 2024

    • MultiAgentRL_InventoryControl

      Public
      Python
      •1•5•0•0•Updated Oct 24, 2024Oct 24, 2024

    • pulsed-reactor-optimisation

      Public
      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.
      C++
      •
      MIT License
      •2•11•0•0•Updated Aug 19, 2024Aug 19, 2024

    • EvalRetro

      Public
      A repository for evaluating single-step retrosynthesis algorithms
      pytorchbenchmark-frameworkinterpretable-machine-learningretrosynthesis
      Python
      •
      MIT License
      •2•17•0•0•Updated Jul 23, 2024Jul 23, 2024

    • CIRL

      Public
      Integrating PID Controllers into the deep reinforcement learning framework.
      Python
      •
      MIT License
      •3•5•0•0•Updated Jul 15, 2024Jul 15, 2024

    • imperial_latex_templates

      Public
      Official LaTeX templates employing the Imperial College London brand.
      TeX
      •
      Other
      •8•1•0•0•Updated Jul 8, 2024Jul 8, 2024

    • cuatro

      Public
      Python
      •
      MIT License
      •0•3•5•0•Updated Apr 29, 2024Apr 29, 2024

    • humbo

      Public
      Python
      •
      MIT License
      •2•2•0•0•Updated Apr 15, 2024Apr 15, 2024

    • Expensive-Black-Box-Optim-ChemEng

      Public
      Python
      •
      MIT License
      •3•9•0•0•Updated Apr 12, 2024Apr 12, 2024

    • DD-Hierarchical

      Public
      Exploring data-driven techniques for the hierarchical integration of planning, scheduling, and control
      Python
      •0•1•0•0•Updated Apr 12, 2024Apr 12, 2024

    • auto_discov_kin_rate_models

      Public
      Complete code and data for reproducibility of results presented in paper.
      Julia
      •
      Apache License 2.0
      •0•2•0•0•Updated Feb 16, 2024Feb 16, 2024

    • control_neuralode

      Public
      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)
      Julia
      •
      MIT License
      •1•0•0•0•Updated Aug 10, 2023Aug 10, 2023

    • rmpa

      Public
      Python
      •
      MIT License
      •0•0•0•0•Updated Feb 27, 2023Feb 27, 2023

    • ml_coursework

      Public
      C++
      •
      MIT License
      •1•0•0•0•Updated Nov 7, 2022Nov 7, 2022

    • ML-course

      Public
      Supporting material for the ICL ChemEng department Machine Learning course
      0•2•0•0•Updated Sep 27, 2022Sep 27, 2022

    • REINFORCE-PSE

      Public
      Reinforcement learning for batch bioprocess optimization (Computers & Chemical Engineering, 2020)
      reinforcement-learningodepolicy-gradientdynamical-systemsreinforceppo
      Python
      •
      MIT License
      •3•12•0•0•Updated Jun 14, 2022Jun 14, 2022

    • Data-driven-coordination

      Public
      Python
      •0•0•0•0•Updated Jun 10, 2022Jun 10, 2022

    • coding_workshop

      Public
      This repository contains problem sets and updates to do with the OptiMaL PSE Coding Workshop.
      algorithmscodingcoding-interviewscoding-challenge
      Python
      •
      MIT License
      •0•0•0•0•Updated Jun 9, 2022Jun 9, 2022

    • DeepDock

      Public
      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
      Jupyter Notebook
      •
      MIT License
      •29•179•18•0•Updated Feb 7, 2022Feb 7, 2022

    • LP_Pyomo

      Public
      A short educational implementation of Linear Programming in Pyomo.
      Jupyter Notebook
      •2•0•0•0•Updated Sep 4, 2021Sep 4, 2021

    • Data-driven-distributionally-robust-MPC

      Public
      Python
      •2•22•0•0•Updated Mar 31, 2021Mar 31, 2021

    • Bayesian-optimization-with-GPs

      Public
      An educational implementation of Bayesian optimization using Gaussian processes.
      machine-learninggaussian-processesbayesian-optimization
      Jupyter Notebook
      •5•2•0•0•Updated Mar 23, 2021Mar 23, 2021

    • Gaussian-Process-from-scratch

      Public
      An educational implementation Gaussian processes.
      machine-learninggaussian-processes
      Jupyter Notebook
      •7•5•0•0•Updated Mar 23, 2021Mar 23, 2021