/tools/Architector

Architector

lanl/Architector

80 stars18 forksPythonAdded February 4, 2026
summary

Architector is a Python package that generates 3D chemical structures of organometallic complexes from minimal 2D information. It supports high-throughput in-silico construction and is capable of producing chemically sensible conformers and stereochemistry for various metal complexes.

description

The architector python package - for 3D metal complex design. C22085

topics

actinidescomputational-chemistryd-blocklanthanidesmolecular-simulationmolecular-structuresrare-earth-elements

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