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  1. absorption_tauc_plot absorption_tauc_plot Public

    Process UV-Vis absorption spectra, make Tauc transformation for direct/indirect allowed transition, extract band gap values for corresponding transition type, and plot figures

    Python 4 3

  2. MolNexTR MolNexTR Public

    Forked from CYF2000127/MolNexTR

    This is the official code of the MolNexTR

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  3. band_edge_potentials_calculator band_edge_potentials_calculator Public

    Calculation of the edge potentials of valence and conduction bands. The band edge potentials are in normalized hydrogen scale.

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  4. reactiondataextractor2 reactiondataextractor2 Public

    Forked from dmw51/reactiondataextractor2

    This repo contains ReactionDataExtractor v.2 - software toolkit for extraction of information from chemical reaction schemes

    Python 1

  5. DECIMER-Image_Transformer DECIMER-Image_Transformer Public

    Forked from Kohulan/DECIMER-Image_Transformer

    DECIMER: Deep Learning for Chemical Image Recognition using Efficient-Net V2 + Transformer

    Python 1

  6. DECIMER-Image-Segmentation DECIMER-Image-Segmentation Public

    Forked from Kohulan/DECIMER-Image-Segmentation

    Chemical structure detection and segmentation tool for Journal articles.

    Jupyter Notebook 1