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@BereauLab

Bereau Lab

Group of Prof. Bereau, ITP, Heidelberg University

Welcome at Bereau Lab 👋

We are a computational physics group interested in the understanding and development of multiscale modeling and machine learning methods for soft-condensed matter and biomolecules. Research activities include

  • Multiscale modeling for computational discovery and high-throughput screening
  • Impact of coarse-graining on chemical-space exploration
  • Physics-inspired machine learning for molecular systems

Checkout our website for a list of all publications 📚, fields of research :atom:🧬🔬, or to get in contact with us 📬.

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  1. martignac martignac Public

    Forked from tbereau/martignac

    Martignac: computational workflows for the Martini force field

    Python

  2. Multi-Level-BO-w-Hierarchical-CG Multi-Level-BO-w-Hierarchical-CG Public

    Jupyter Notebook 2

  3. fokker-planck-score-learning fokker-planck-score-learning Public

    Fokker-Planck Score Learning: Efficient Free-Energy Estimation under Periodic Boundary Conditions

    Python 3

  4. Molecule-Optimization-w-Hierarchical-CG-Tutorial Molecule-Optimization-w-Hierarchical-CG-Tutorial Public

    Tutorial about molecular discovery with hierarchical coarse-graining and multi-level Bayesian optimization

    Jupyter Notebook 1

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