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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

Popular repositories

  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 150 26

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

    Python 18 2

  3. REINFORCE-PSE REINFORCE-PSE Public

    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

    Python 12 1

  4. EvalRetro EvalRetro Public

    A repository for evaluating single-step retrosynthesis algorithms

    Python 11 1

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

    Python 7 2

  6. 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++ 7 1

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