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biosim-extractor

Community

Python package for extracting and standardizing metadata from molecular dynamics simulation outputs.

Installation

To install this package, run one of the following:

Conda
$conda install ccpbiosim::biosim-extractor

Usage Tracking

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Description

BioSim Extractor parses molecular dynamics simulation outputs, including engine log files, topology files, and trajectory files, and maps the extracted metadata into the BioSim schema. It supports standardized metadata generation for BioSimDR workflows, including unit conversion and schema validation.

About

Summary

Python package for extracting and standardizing metadata from molecular dynamics simulation outputs.

Last Updated

Jul 6, 2026 at 15:19

License

MIT

Supported Platforms

noarch