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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 194 30

  2. Machine-Learning-for-Chemical-Engineering Machine-Learning-for-Chemical-Engineering Public

    Jupyter Notebook 37 8

  3. Sketch2Simulation Sketch2Simulation Public

    Sketch2Simulation: Automating Flowsheet Generation via Multi Agent Large Language Models

    Python 33 6

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

    Python 28 3

  5. EvalRetro EvalRetro Public

    A repository for evaluating single-step retrosynthesis algorithms

    Python 21 2

  6. Imperial-ML4CE-Course Imperial-ML4CE-Course Public

    Imperial Chemical Engineering Machine Learning Course

    Jupyter Notebook 21 14

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