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  1. DebyeCalculator DebyeCalculator Public

    A vectorised implementation of the Debye Scattering Equation on CPU and GPU

    Jupyter Notebook 18 4

  2. Batch_PDF_py37 Batch_PDF_py37 Public

    Forked from EmilSkaaning/Batch_PDF

    Tranforming Total Scattering (TS) data into Pair Distribution Function (PDF) data.

    Python

  3. data_efficient_grammar data_efficient_grammar Public

    Forked from gmh14/data_efficient_grammar

    [ICLR 2022] Data-Efficient Graph Grammar Learning for Molecular Generation

    Jupyter Notebook

  4. CrystaLLM CrystaLLM Public

    Forked from lantunes/CrystaLLM

    A Large Language Model of the CIF format for Crystal Structure Generation

    Python