Posts by Julian Geiger

One-click exploration of AiiDA archives via RenkuLab

Did you know that when you conduct research using AiiDA, you can host the generated data for free on the Materials Cloud Archive (MCA)? By doing so, you make your data available to the research community at large, offload the responsibility of long-term data storage, and allow users to explore it with MCA’s built-in provenance explorer.

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Exploring AiiDA’s ORM architecture

In this post, we’ll take a deep dive into the implementation of AiiDA’s Object-Relational Mapping (ORM) system. We’ll explore how AiiDA leverages SQLAlchemy to create a flexible ORM backend that abstracts database operations and separates concerns between the user-facing Python objects and the underlying database persistence.

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Non research-domain specific plugins to extend core functionality

Dear users, we’re happy to announce that we have recently crossed the 100-plugin milestone of registered plugin packages on the AiiDA plugin registry. Among those are classics like aiida-quantumespresso and aiida-vasp, which support the electronic structure codes we all know and love. However, did you know that there are various non research-domain specific plugins that AiiDA developers have created over the years, which can extend AiiDA’s core functionality? In today’s post, we would like to give you a short introduction to some of these plugins, and show you when you can incorporate them into your work, to make sure you’ll get the most out of your AiiDA journey![1]

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Improvements in the ways to get your data out of AiiDA

Dear users, as the saying goes “Data is the Gold of the 21st Century”, in today’s blog post, we would like to showcase improvements in how you can get your data out of AiiDA’s internal storage. We hope that these new features will enrich not only you, but also the science you conduct.

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Simplifications to the installation of AiiDA since v2.0

Dear users, as we are always working hard to improve your experience with AiiDA, we would like to share with you some of the new features aimed at user friendliness since the last major release v2.0. In this blog post, we will cover improvements to the installation, so let’s get started, shall we?

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