Drug Discovery Partnerships

We focus on preclinical drug discovery where we aim to accelerate discovery and reduce experimental costs. We develop and use molecular dynamics simulations and machine learning.

  • An in-house GPU cluster so that your data will not leave our facilities.
  • 100% carbon-neutral electricity sources
  • Strong know-how on computer simulations and machine learning. See our publications in top-tier journals.
  • Proven collaborations with pharmaceutical companies.
  • We work with established CROs to deliver experimentially validated molecules.
  • 9.4/10 rating in Science Exchange.

Binding affinity prediction with machine learning

Predict protein-ligand binding affinity with proven accuracy.

Our propietary predictors (KDEEP, DeltaDelta, BindScope) have been published in peer-reviewed journals and validated in data from top pharmaceutical companies. Furthermore, KDEEP won two blind subchallenges of the D3R Grand Challenge 4 and it is now used daily in a large pharma company to perform their predictions.


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