Talks from Scipy 2016 | Resources | Beckstein Lab

David, Sean and Oliver attended SciPy 2016, which took place from July 11-17, 2016 in Austin, TX. David Dotson and Oliver Beckstein gave talks at the meeting. These talks were recorded and are now available for public viewing:

David Dotson: datreant

David Dotson introduced his project datreant : Persistent, Pythonic Trees for Heterogeneous Data ¹ in the General Track. datreant is a Python library that seeks to make organic exploration and storage of complex scientific data easier to do. It is built around “Treants”²: specially marked directories with distinguishing characteristics that can be discovered, queried, and filtered. Treants map the filesystem as it is into a Pythonic interface, making heterogeneous data easier to leverage while enhancing scientific reproducibility.

Oliver Beckstein: MDAnalysis

Oliver Beckstein presented MDAnalysis : A Python Package for the Rapid Analysis of Molecular Dynamics Simulations ^3,4 to the wider scientific Python community in the Medicine and Biology mini symposium. MDAnalysis is an object-oriented Python library to analyze trajectories from molecular dynamics (MD) simulations.

References

1. ^a D. L. Dotson, S. L. Seyler, M. Linke, R. J. Gowers, and O. Beckstein. datreant: persistent, Python trees for heterogeneous data. In S. Benthall and S. Rostrup, editors, Proceedings of the 15th Python in Science Conference, pages 51 – 56, Austin, TX, 2016. http://datreant.org
2. ^a A treant is a walking and talking tree, found in the Dungeons & Dragons roleplaying game.
3. ^a N. Michaud-Agrawal, E. J. Denning, T. B. Woolf, and O. Beckstein. MDAnalysis: A toolkit for the analysis of molecular dynamics simulations. J Comp Chem, 32:2319–2327, 2011. doi: 10.1002/jcc.21787
4. ^a R. J. Gowers, M. Linke, J. Barnoud, T. J. E. Reddy, M. N. Melo, S. L. Seyler, D. Dotson, S. Buchoux, I. M. Kenney, and O. Beckstein. MDAnalysis: A Python package for the rapid analysis of molecular dynamics simulations. In S. Benthall and S. Rostrup, editors, Proceedings of the 15th Python in Science Conference, pages 102 – 109, Austin, TX, 2016. http://mdanalysis.org