2019 MP Workshop - Atomate basics - Building a workflow
Автор: MaterialsProject
Загружено: 2019-08-21
Просмотров: 2028
Описание:
The Materials Project (MP) holds an annual hands-on workshop to train a diverse audience to leverage our open-source software tools for data-driven computational materials science. Industry users, faculty, and students are invited and encouraged to attend.
Wed morning and afternoon:
Python/Jupyter
MongoDB using Python
Thu morning:
Overview of MP data+software ecosystem
Website and Basic API use
Pymatgen core - foundations and useful functionality
Thu afternoon:
Pymatgen adventures
API use - materials informatics
Fri morning:
Atomate basics - Building a workflow
Atomate intermediate - Managing complex workflows
Fri afternoon:
MPContribs: Your data on MP
Materials data science with matminer: descriptors and machine learning
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