The GRIB is currently organized in nine research groups.

To support the scientific personnel, the GRIB has an IT & Management office.

Mar Albà (IMIM) and Ferran Sanz (UPF) are the Directors of GRIB.

Led by Gianni de Fabritiis is dedicated to computational science in biomedicine and machine learning.

Led by Gabriel Santpere aims to gain insight into the evolutionary mechanisms leading to human brain specializations by means of functional genomics

Led by M. Mar Albà and focused on the use of comparative genomics and large-scale data analysis.

Led by Robert Castelo aim at contributing to narrow the gap between sequence and function by developing computational tools.

Led by Jana Selent and focussed on the functionality of G protein coupled receptors (GPCRs) in the context of CNS-related disorders.

Led by Ferran Sanz and dedicated to the generation and execution of research initiatives for the solution of biomedical problems.

Led by Manuel Pastor and focused on development and application of pharmacoinformatic methods in the field of drug Discovery and Development.

Led by Baldo Oliva and dedicated to the analysis and modelling of protein 3D structures, as well as these of macromolecular interactions.

Led by Jordi Mestres and dedicated to the development of computational tools for the systematic identification of active molecules for therapeutically relevant target famílies.