Now showing items 1-3 of 3

    • BioExcel Building Blocks, a software library for interoperable biomolecular simulation workflows 

      Andrio, Pau; Hospital, Adam; Conejero Bañón, Javier; Jordá, Luis; del Pino, Marc; Codo, Laia; Soiland Reyes, Stian; Goble, Carole; Lezzi, Daniele; Badia Sala, Rosa Maria; Orozco López, Modesto; Gelpi Buchaca, Josep Lluís (Nature, 2019-09-10)
      Article
      Open Access
      In the recent years, the improvement of software and hardware performance has made biomolecular simulations a mature tool for the study of biological processes. Simulation length and the size and complexity of the analyzed ...
    • Enabling Python to execute efficiently in heterogeneous distributed infrastructures with PyCOMPSs 

      Amela Milian, Ramon; Ramón Cortés, Cristian; Ejarque, Jorge; Conejero Bañón, Javier; Badia Sala, Rosa Maria (Association for Computing Machinery (ACM), 2017-11)
      Conference lecture
      Open Access
      Python has been adopted as programming language by a large number of scientific communities. Additionally to the easy programming interface, the large number of libraries and modules that have been made available by a large ...
    • Workflow environments for advanced cyberinfrastructure platforms 

      Badia Sala, Rosa Maria; Ejarque Artigas, Jorge; Lordan Gomis, Francesc; Lezzi, Daniele; Conejero Bañón, Javier; Álvarez Cid-Fuentes, Javier; Becerra Fontal, Yolanda; Queralt Calafat, Anna (Institute of Electrical and Electronics Engineers (IEEE), 2019)
      Conference report
      Open Access
      Progress in science is deeply bound to the effective use of high-performance computing infrastructures and to the efficient extraction of knowledge from vast amounts of data. Such data comes from different sources that ...