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    21 repositories

    • sabrina_doc_gen

      Public
      Intern project for b12902140
      Python
      •1•0•0•0•Updated Nov 24, 2025Nov 24, 2025

    • nitrosamine

      Public archive
      The repository of datasets and codes of the jounal paper titled "Integrating Explainable Artificial Intelligence and Carcinogenic Potency Characterization for S…
      Python
      •
      MIT License
      •0•0•0•0•Updated Nov 20, 2025Nov 20, 2025

    • DeePFAS

      Public
      Encoding MS/MS spectra to chemical representation for identification of PFAS
      Python
      •
      MIT License
      •1•9•0•0•Updated Oct 29, 2025Oct 29, 2025

    • HLM

      Public
      Jupyter Notebook
      •0•0•0•0•Updated Sep 18, 2025Sep 18, 2025

    • HQNN

      Public
      Python
      •0•0•0•0•Updated Jul 29, 2025Jul 29, 2025

    • HBDB_automated_paper_filter

      Public
      A pipeline that fetches papers via the Semantic Scholar API and filters their content using an LLM.
      Python
      •1•0•0•0•Updated Jun 19, 2025Jun 19, 2025

    • HBDB_relationship_network

      Public
      Python
      •
      MIT License
      •1•0•0•0•Updated Mar 4, 2025Mar 4, 2025

    • pick_hbdb_prompt_exampls

      Public
      construct examples from hbdb dataset
      HTML
      •1•0•0•0•Updated Feb 6, 2025Feb 6, 2025

    • quantum-programming-platform

      Public archive
      Codes and data for the journal article "Advantages of Two Quantum Programming Platforms Advantage in Quantum Computing and Quantum Chemistry"
      Jupyter Notebook
      •
      Creative Commons Zero v1.0 Universal
      •0•0•0•0•Updated Oct 28, 2024Oct 28, 2024

    • nps-vis

      Public
      Python
      •0•0•0•0•Updated Sep 16, 2024Sep 16, 2024

    • CYP450

      Public
      Python
      •
      Creative Commons Zero v1.0 Universal
      •1•3•0•0•Updated Aug 23, 2024Aug 23, 2024

    • MSIr

      Public
      MSIr: Automatic Registration Service for Mass Spectrometry Imaging and Histology
      JavaScript
      •
      MIT License
      •1•7•2•4•Updated Aug 30, 2023Aug 30, 2023

    • CASE_DA

      Public
      Codes and data for the journal article "Quantum-Inspired Approach to Natural Product Structure Elucidation"
      Python
      •
      Creative Commons Zero v1.0 Universal
      •0•0•0•0•Updated Aug 2, 2023Aug 2, 2023

    • CMDM-Lab.github.io

      Public
      Live version of lab website
      HTML
      •4•3•5•3•Updated Apr 17, 2023Apr 17, 2023

    • MetaMOPE

      Public
      Ruby
      •0•2•0•0•Updated Dec 29, 2022Dec 29, 2022

    • rsdb_publication

      Public
      CSS
      •0•0•0•0•Updated Aug 16, 2022Aug 16, 2022

    • quantum_pharmaceutical_patent_search

      Public
      The code used in article: Intelligent pharmaceutical patent search on a near-term gate-based quantum computer.
      Python
      •
      MIT License
      •2•0•0•0•Updated Dec 21, 2021Dec 21, 2021

    • PN2S

      Public
      2•8•0•0•Updated Dec 23, 2020Dec 23, 2020

    • Learn-it-all

      Public
      Python
      •
      Other
      •1•1•0•0•Updated Dec 28, 2019Dec 28, 2019

    • GAME

      Public
      Source code and datasets of G.A.M.E. - GPU-Accelerated Mixture Elucidator
      gpu
      gpu
      Python
      •
      GNU General Public License v3.0
      •3•2•0•0•Updated Jul 17, 2017Jul 17, 2017

    • lab_website

      Public archive
      our old lab website
      PHP
      •
      Other
      •0•0•0•0•Updated Jan 24, 2016Jan 24, 2016
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