Getting Started

Stage Guides

Data Preparation

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Molecules

DFT & Quantum

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Characterization

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Instruments & Parsers

UV-Vis spectroscopy

Formats & vendors

.csv, .txt, .dat, .sp, .dsp, .abs, .trans from Shimadzu UVProbe, PerkinElmer UV WinLab, Agilent Cary and Thermo Evolution.

What you get

Absorbance / %T interconversion
Lambda-max finding
Tauc-plot bandgap analysis (direct and indirect transitions)

The Tauc extrapolation is an automated fit — validate against your known material before publishing.

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GC/MS (gas chromatography – mass spectrometry)

FTIR spectroscopy

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Go from reading to running

The quickstart tutorial walks the first synthesis, evaluation and prediction on a demo dataset — each step matches a real platform page.