biosim-extractor
Python package for extracting and standardizing metadata from molecular dynamics simulation outputs.
Python package for extracting and standardizing metadata from molecular dynamics simulation outputs.
To install this package, run one of the following:
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.
Summary
Python package for extracting and standardizing metadata from molecular dynamics simulation outputs.
Last Updated
Jun 12, 2026 at 13:09
License
MIT
Supported Platforms
GitHub Repository
https://github.com/CCPBioSim/biosim-extractorDocumentation
https://biosim-extractor.readthedocs.io/en/latest/