transparent ML





Machine learning for science

Machine learning that shapes science.


  • Foundation Models of science: Building the associative memory and inference engine for science from data.
  • Science-informed machine learning: Exploring the interplay between science and machine learning.
  • Materials science: Exploring faster ways to compute materials properties and generate new kinds of materials.
  • Computational chemistry: Exploring the molecular space and interactions.
  • Computational biology:We aim to unlock the mystery of life hidden under our genome, cells and organisms.
  • Drug discovery: We aim to accelerate the finding of new drugs for a new target.




Materials science:

Computational chemistry:

Computational biology:
Drug discovery: