InvDesMobility: a reliability-gated first-principles feedback framework for closed-loop materials discovery

This archive contains the processed source data used to interpret, verify and extend the manuscript "First-principles mobility feedback for inverse design of two-dimensional semiconductors". The package includes seed material records, channel-level mobility records, ALIGNN acquisition-ranker validation records, loop01-08 generated-candidate validation provenance, round-wise feedback accounting tables, literature sanity checks, threshold-sensitivity records and SQLite database snapshots.Large raw VASP working directories and licensed VASP input files are not redistributed. POTCAR files, CHGCAR, WAVECAR, OUTCAR and local credentials are excluded. The archive provides parsed quantities, quality labels and provenance records needed to reproduce the manuscript-level figures and tables from the supplied source-data tables.