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  • Imperial College London
  • London, UK

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  1. OMLT_CAMD OMLT_CAMD Public

    Forked from cog-imperial/OMLT_CAMD

    Repository for paper: "Augmenting optimization-based molecular design with graph neural networks".

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  2. Limeade Limeade Public

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    Official implementation of the paper “Limeade: Let integer molecular encoding aid”

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  3. mopti mopti Public

    Forked from basf/mopti

    Lightweight tools for experimental design and multi-objective optimization.

    Python

  4. OMLT OMLT Public

    Forked from cog-imperial/OMLT

    Represent trained machine learning models as Pyomo optimization formulations

    Python

  5. DCBO DCBO Public

    Forked from cog-imperial/DCBO

    Repository for paper: "Dependence in constrained Bayesian optimization: When do we need it and how does it help?".

    Python

  6. GNN_MIP_CAMD GNN_MIP_CAMD Public

    Forked from cog-imperial/GNN_MIP_CAMD

    Repository for paper: "Optimizing over trained GNNs via symmetry breaking".

    Python