The GRIB is currently organised in seven laboratories.
- Computational Genomics, which is devoted to the computational analysis of genomic sequences and information. Senior scientists of this lab are Mar Albà (IMIM-UPF-ICREA), Eduardo Eyras (UPF-ICREA), Núria Lòpez-Bigas (UPF), Robert Castelo (UPF). Roderic Guigó, director of the Bioinformatics Programme of the Centre for Genomic Regulation (CRG) acts as stable consultant of this lab.
- Complex Systems, a lab devoted to the understanding and modelling of complex biosystems, their synthesis and evolution. Ricard Solé (UPF-ICREA) is the group leader.
- Structural Bioinformatics, dedicated to the analysis and modelling of protein 3D structures, as well as these of macromolecular interactions. Baldomero Oliva (UPF) is the group leader.
- Computational Biochemistry and Biophysics, which is devoted to the development and use of modelling and simulation methods to understand biochemical and biophysical phenomena at the molecular and systemic levels. Jordi Villà-Freixa (UPF) is the scientist in charge.
- Chemogenomics, which is dedicated to the development of novel integrative biochemoinformatics methods and its application to the annotation of large chemical libraries to entire protein families of therapeutic interest. Jordi Mestres (IMIM-UPF) is the group leader.
- Computer-Assisted Drug Design, a group focused on the development and application of computational methods oriented to the discovery and development of new drugs. Manuel Pastor (UPF) is the group leader. Ismael Zamora (UPF), Director of Lead Molecular Design, is a part-time member of this group.
- Integrative Biomedical Informatics, a singular group particularly dedicated to the generation and execution of research initiatives that aim to contribute to the solution of biomedical problems on the basis of the join application of methods and strategies afforded in different GRIB labs. Ferran Sanz (IMIM-UPF) is leading this group in addition to the whole GRIB.