Ecosyste.ms: Packages

An open API service providing package, version and dependency metadata of many open source software ecosystems and registries.

pypi.org "molecular simulations" keyword

mdahole2 0.4.0
A Python interface for the HOLE suite tools to analyze an ion channel pore or transporter pathway...
1 version - Latest release: 4 months ago - 4.5 thousand downloads last month - 5 stars on GitHub - 1 maintainer
pathsimanalysis 1.1.0
Calculates the geometric similarity of molecular dynamics trajectories using path metrics such as...
3 versions - Latest release: 5 months ago - 4.5 thousand downloads last month - 0 stars on GitHub - 3 maintainers
waterdynamics 1.1.0
Analysis of water dynamics in molecular dynamics trajectories and water interactions with other m...
4 versions - Latest release: 5 months ago - 4.45 thousand downloads last month - 1 stars on GitHub - 3 maintainers
mda-tui 0.3.0
A textual user interface (TUI) for MDAnalysis
4 versions - Latest release: 8 months ago - 34 downloads last month - 2 stars on GitHub - 1 maintainer
dupin 0.1
Offline and online event detection scheme for rare events in molecular simulations.
1 version - Latest release: 5 months ago - 12 downloads last month - 4 stars on GitHub - 3 maintainers