BMOFs: A balanced MOF dataset and its sub-building blocks

This release provides the current MOF building-block library associated with Harrison-Li/BMOFs, prepared on 16 October 2026. It contains 18,062 building blocks and 2,680 topology CGD definitions. The complete MOF CIF collection and its six LMDB files are separate assets and are not included in this release.

Building-block kind	Count
Metal node	12,157
Organic node	2,780
Linker edge	3,125
Total	18,062

The source library was developed through MOFBB decomposition of source MOF structures, external building-block imports and subsequent curation

Files

• building_blocks.tar.gz: all 18,062 original XYZ files and the building-block manifest, rooted at lib/.
• abstract_topologies.tar.gz: all 2,680 current topology definitions, the topology manifest, upstream topology provenance and the RCSR source CGD,

Download and extract

hf download Harrison-Li/BMOFs --repo-type dataset --local-dir BMOFs
cd BMOFs
tar -xzf building_blocks.tar.gz
tar -xzf abstract_topologies.tar.gz