A Python library for the hierarchical analysis of molecular surface topography
Molecular Topography Multi Toolkit is a Python library for the detection, representation and analysis of molecular surface topography, including pockets, cavities, channels, interfaces, grooves and protrusions.
Original third-party engines are optional. See the supported engines and installation requirements for Python library, executable, web-service and native routes.
Start with the developer guide for onboarding, current work and transferring development to another machine.
For questions and scientific-resource conversations, start with TopoMT Discussions. Contributors maintaining that area should read the category, label and follow-up instructions.
Topography BenchLab is the dedicated system study and comparison laboratory, starting with synthetic geometries and a separate planned collection for real molecular systems.
Metadata and configured source/installed matrices target Python 3.11–3.14; routine
workspace development uses molsyssuite@uibcdf_3.14. Qualification/admission stays
tracked in #16. Distribution controls
and public receiving evidence remain partial in #78.
See source installation and the optional
reviewed environment tools; no public release or
complete installed compatibility is inferred from this configuration.