PyDigger - unearthing stuff about Python


NameVersionSummarydate
raspa-ase 0.0.1 An ASE calculator for the RASPA molecular simulation package. 2024-02-27 02:52:14
mdahole2 0.4.0 A Python interface for the HOLE suite tools to analyze an ion channel pore or transporter pathway as a function of time or arbitrary order parameters. 2024-01-30 11:30:41
dupin 0.1 Offline and online event detection scheme for rare events in molecular simulations. 2024-01-18 22:29:27
pathsimanalysis 1.1.0 Calculates the geometric similarity of molecular dynamics trajectories using path metrics such as the Hausdorff and Fréchet distances. 2024-01-06 18:36:11
mda-tui 0.3.0 A textual user interface (TUI) for MDAnalysis 2023-09-22 18:32:09
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