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MDAnalysis

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Open source
python
science
Fiscal Host: NumFOCUS

MDAnalysis is a Python library for the analysis of computer simulations of many-body systems at the molecular scale

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MDAnalysis GSoC 2025
MDAnalysis GSoC 2025

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ASU NSF CSSI award
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MDAnalysis CZI 2022-309811
MDAnalysis CZI 2022-309811

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MDAnalysis CZI 2021-237663
MDAnalysis: Faster, extensible molecular analysis for reproducible science

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$16,647.5 USD since Jul 2021

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MDAnalysis GSoC 2025

Credit from NumFOCUS to MDAnalysis GSoC 2025 •

+$2,000.00USD
Completed
Added funds #919937

MDAnalysis/NumFOCUS Workshop 2025 Food Expenses

from J Speas to ASU NSF CSSI award •
-$3,570.12 USD
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OC Fee Refund

Credit from NumFOCUS to MDAnalysis CZI 2022-309811 •

+$1.24USD
Completed
Added funds #914918
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$10,376.38 USD

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$25,604.41 USD

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$15,228.03 USD

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MDAnalysis is a Python library for the analysis of computer simulations of many-body systems at the molecular scale, spanning use cases from interactions of drugs with proteins to novel materials. It is widely used in the...
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Published on June 28, 2022 by Oliver Beckstein

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MDAnalysis is a Python library for the analysis of computer simulations of many-body systems at the molecular scale, spanning use cases from interactions of drugs with proteins to novel materials. It is widely used in the scientific community and is written by scientists for scientists. 

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ArlissC

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NumFOCUS Finance

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Nicole Foster

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Oliver Beckstein

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Tyler J. E. R...

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Irfan Alibay

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Lily Wang

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Jonathan Barnoud

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MDAnalysis Co...

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