fastmdx 0.2.0

Alias for FastMDXplorer; installs the canonical 'fastmdxplorer' package.

fastmdx

PyPI alias for FastMDXplorer.

The canonical package is fastmdxplorer. This shim exists so that pip install fastmdx works for users who reach for the shorter name. Installing it transparently installs fastmdxplorer underneath.

Recommended usage

import fastmdxplorer as fastmdx

The bare import fastmdx form also works and re-exports the fastmdxplorer namespace, emitting a one-time notice suggesting the recommended idiom above.

CLI

The CLI command is also fastmdx. It is provided by the canonical fastmdxplorer package, so it is available regardless of whether you pip install fastmdxplorer or pip install fastmdx.

fastmdx explore -system protein.pdb
fastmdx xplore -pdb-id 1L2Y

Source code

All code, documentation, examples, and issue tracker live at the canonical repository:

https://github.com/aai-research-lab/FastMDXplorer

Citation

Aina, A.; Kwan, D. FastMDAnalysis: Software for Automated Analysis of Molecular Dynamics Trajectories. J. Comput. Chem. 2026, 47, e70350. DOI: 10.1002/jcc.70350

License

MIT — see the canonical repository for the full text.