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@OptiMaL-PSE-Lab

OptiML PSE Lab

Optimisation and Machine Learning for Process Systems Engineering Group - Department of Chemical Engineering @ Imperial College London

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  1. DeepDock 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 180 30

  2. Data-driven-distributionally-robust-MPC Data-driven-distributionally-robust-MPC Public

    Python 23 2

  3. EvalRetro EvalRetro Public

    A repository for evaluating single-step retrosynthesis algorithms

    Python 18 2

  4. REINFORCE-PSE REINFORCE-PSE Public

    Reinforcement learning for batch bioprocess optimization (Computers & Chemical Engineering, 2020)

    Python 13 3

  5. pulsed-reactor-optimisation 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++ 11 2

  6. Expensive-Black-Box-Optim-ChemEng Expensive-Black-Box-Optim-ChemEng Public

    Python 9 3

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