Digital Chemistry

Automated analytics workflow for ZIF biocomposite datasets, including PXRD processing, human-in-the-loop phase assignment, crystallinity analysis, and structured JSON reporting.

Interactive visualisation and prediction interface for exploring ZIF biocomposite datasets across composition, phase, crystallinity, encapsulation efficiency, and spectra.

This dataset contains a curated collection of Polyoxometalate (POM) formulas. Polyoxometalates are a class of metal-oxygen clusters with diverse chemical properties, widely studied in catalysis, materials and life science.

Tools for the IPTC at TU Graz