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MDAnalysis CZI 2021-237663

PROJECT
Part of: MDAnalysis
Fiscal Host: NumFOCUS

MDAnalysis: Faster, extensible molecular analysis for reproducible science

About


MDAnalysis was awarded an Essential Open Source Software for Science (EOSS) grant by the Chan Zuckerberg Initiative for our proposal “MDAnalysis: Faster, extensible molecular analysis for reproducible science”

Over the next two years (2022 and 2023), this award will fund work on two major aims that will improve MDAnalysis for our users and make it easier for scientists to contribute code, with a view towards increasing code reuse, interoperability, and reproducibility: 

(1) Improving the performance of essential core components by rewriting Python code in Cython 
(2) Launching the “MDAKits” ecosystem