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Contributors

Maintainers

  • Martin Fitzner (Merck KGaA, Darmstadt, Germany), Contact, Github
  • Adrian Šošić (Merck Life Science KGaA, Darmstadt, Germany), Contact, Github
  • Alexander Hopp (Merck KGaA, Darmstadt, Germany), Contact, Github

Contributors

  • Alex Lee (EMD Electronics, Tempe, Arizona, USA):
    Work on surrogate models
  • Daniel Weber (Merck KGaA, Darmstadt, Germany):
    Telemetry prototype
  • Emeline Sola (during an internship at Merck KGaA, Darmstadt, Germany):
    Auto-documentation of the examples
  • Sourabh Agrawal (Sigma-Aldrich Chemicals Private Limited):
    Initial implementation of additional surrogate models and clustering methods
  • Julie Fang (Merck Life Science KGaA, Darmstadt, Germany):
    Farthest point sampling
  • Roya Javadi (Vector Institute, Toronto, Canada):
    Import optimization, Polars implementations
  • Sterling Baird (Acceleration Consortium, Toronto, Canada):
    Documentation and general feedback
  • Rim Rihana (Merck KGaA, Darmstadt, Germany):
    Human readable output for search spaces
  • Di Jin (Merck Life Science KGaA, Darmstadt, Germany):
    Cardinality constraints
  • Julian Streibel (Merck Life Science KGaA, Darmstadt, Germany):
    Bernoulli multi-armed bandit and Thompson sampling
  • Karin Hrovatin (Merck KGaA, Darmstadt, Germany):
    scikit-fingerprints support, API overview diagram
  • Fabian Liebig (Merck KGaA, Darmstadt, Germany):
    Benchmarking structure and persistence capabilities for benchmarking results
  • Alexander Wieczorek (Swiss Federal Institute for Materials Science and Technology, Dübendorf, Switzerland):
    SHAP explainers for insights
  • Tobias Plötz (Merck KGaA, Darmstadt, Germany):
    Metadata system
  • Chung Hsuan (Jonathan) Shan (External Contractor at Merck KGaA, Darmstadt, Germany):
    fpsample implementation for FPSRecommender
  • Kathrin Skubch (Merck KGaA, Darmstadt, Germany):
    Transfer learning regression benchmarks infrastructure
  • Myra Zmarsly (Merck Life Science KGaA, Darmstadt, Germany):
    Identification of non-dominated parameter configurations