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Popular repositories Loading

  1. esigen esigen Public archive

    Forked from insilichem/esigen

    📝✨ Generate supporting information documents for your computational chemistry manuscripts

    JavaScript 2

  2. anagostic_contra-electrostatic_H-bonds anagostic_contra-electrostatic_H-bonds Public

    A repo for the xyz files from the paper "Mapping C-H•••M interactions in confined spaces: (α-ICyDᴹᵉ)Au, Ag, Cu complexes reveal “contra-electrostatic H-bonds” masquerading as anagostic interactions".

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  3. TSCoDe TSCoDe Public

    Forked from ntampellini/TSCoDe

    TSCoDe is a systematical conformational embedder for small molecules. It helps computational chemists build transition states and binding poses precisely in an automated way. It is thought as a too…

    Python 2

  4. xtb-gaussian xtb-gaussian Public

    Forked from aspuru-guzik-group/xtb-gaussian

    A wrapper to run xtb inside Gaussian.

    Perl 1 1

  5. applied-ai-for-materials applied-ai-for-materials Public

    Forked from WardLT/applied-ai-for-materials

    Course materials for "Applied AI for Materials Science and Engineering"

    Jupyter Notebook 1

  6. chatgpt-retrieval-plugin chatgpt-retrieval-plugin Public

    Forked from openai/chatgpt-retrieval-plugin

    The ChatGPT Retrieval Plugin lets you easily search and find personal or work documents by asking questions in everyday language.

    Python 1