Following on the heels of his team's recent PLoS publication "Ten simple rules for writing and sharing computational analyses in Jupyter notebooks", Peter Rose of the San Diego Supercomputing Center will give an overview on how to organize notebooks, setup a reproducible and reusable compute environment, and share and explain your research, using CyVerse resources. Peter will address the unique challenges and opportunities that arise when using computational notebooks, especially Jupyter Notebooks as available in CyVerse, for reproducible science research.
Dr. Peter Rose is the Director of the Structural Bioinformatics Laboratory at SDSC. Since joining SDSC in 2007, his group built the RCSB Protein Data Bank to its current strength as a key resource in biology and drug discovery. He currently works on NIH funded Big Data to Knowledge (BD2K) projects to enable large-scale mining of 3D macromolecular structures. Prior to joining UCSD, he held research and management positions at Pfizer La Jolla, formerly Agouron Pharmaceuticals, where he was instrumental in the establishment of the structure-based drug design platform. His research interests include structural bioinformatics, structure-based drug design, 3D visualization, and application of big data technologies and machine learning in bioinformatics and biomedicine.