(156a) Data Science for Assembly Engineering
AIChE Annual Meeting
Monday, November 11, 2019 - 12:30pm to 12:53pm
We also discuss new tools weâve developed to support these studies. We present pythia, a wrapper library for use with data analysis tools that generates descriptors of particle systems for ML. We present signac, an open-source data management framework that facilitates the management of large and heterogeneous data spaces by creating a well-defined, indexable storage layout for data and metadata. signac is lightweight and manages computational workflows on platforms ranging from laptops to supercomputers. signac supports HDF5 integration for rapid access to large numerical data arrays, has new tools to import and export data spaces for long-term archival and publication of data sets; and integrates seamlessly with the scientific Python ecosystem for use with Jupyter notebooks and more. signacis application agnostic and has been used for molecular simulations, quantum chemistry, photonics, computational fluid dynamics, machine learning, graph mining, and even organizing experimental data.
Contributors include Carl Simon Adorf, Joshua A. Anderson, Chengyu Dai, Bradley Dice, Yina Geng, Vyas Ramasubramani, and Matthew Spellings.