5 projects
triplot
An interactive panel for stacked DSC scans from TA Instruments TRIOS files.
vtir-wizard
Variable-temperature IR orchestrator for a Thermo Nicolet iS5 + Specac heated Golden Gate ATR (drives the heater + OMNIC from one process).
orca-workbench
Desktop GUI for building, launching, monitoring, and analysing ORCA quantum-chemistry calculations on SLURM clusters
ach-diffraction-suite
PXRD and TOPAS analysis tools: Pawley fit setup, prefitting, plotting, and lattice-parameter tables.
molom
Molecule viewer, builder and crystal visualiser with Blender-style ergonomics: OpenGL ball-and-stick, CIF crystallography, coordination polyhedra, saved cameras and a Blender export
