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    17 repositories

    • LightshowAI

      Public
      LightshowAI is a web user interface to predict the x-ray absorption near edge structure (XANES) spectra using neural network models. Currently, the models we pr…
      CSS
      •3•3•0•2•Updated Jun 14, 2026Jun 14, 2026

    • Lightshow

      Public
      A one-stop-shop for handling data in computational spectroscopy
      Python
      •
      BSD 3-Clause "New" or "Revised" License
      •10•18•13•4•Updated Jan 26, 2026Jan 26, 2026

    • OmniXAS

      Public
      Jupyter Notebook
      •
      BSD 3-Clause "New" or "Revised" License
      •4•6•1•0•Updated Nov 3, 2025Nov 3, 2025

    • aimm-adapters

      Public
      Python
      •
      BSD 3-Clause "New" or "Revised" License
      •2•0•1•4•Updated Jul 29, 2024Jul 29, 2024

    • aimmdb

      Public
      Python
      •
      BSD 3-Clause "New" or "Revised" License
      •10•0•22•3•Updated May 21, 2024May 21, 2024

    • mcr_const

      Public
      Prior Knowledge Embedding Constraints to Help the Deconvolution of Spectra Sequence using MCR
      Python
      •
      BSD 3-Clause "New" or "Revised" License
      •1•3•1•0•Updated May 1, 2024May 1, 2024

    • aimmdb-examples

      Public
      Jupyter Notebook
      •
      BSD 3-Clause "New" or "Revised" License
      •1•0•0•0•Updated Mar 27, 2024Mar 27, 2024

    • multimodal-molecules

      Public
      Multimodal molecule insanity!
      Jupyter Notebook
      •
      BSD 3-Clause "New" or "Revised" License
      •0•1•0•0•Updated Jan 18, 2024Jan 18, 2024

    • ai-multimodal.github.io

      Public
      HTML
      •0•0•0•0•Updated Dec 17, 2023Dec 17, 2023

    • DigitalBeamline

      Public
      Models for computational spectroscopy
      Jupyter Notebook
      •
      BSD 3-Clause "New" or "Revised" License
      •0•0•0•0•Updated Dec 15, 2023Dec 15, 2023

    • NMC

      Public
      Repository for notebooks and code pertaining to working with NMC materials
      Jupyter Notebook
      •0•0•0•0•Updated Nov 2, 2023Nov 2, 2023

    • easy-molecule-generator

      Public
      A lightweight utility for generating molecules
      BSD 3-Clause "New" or "Revised" License
      •0•0•0•0•Updated May 8, 2023May 8, 2023

    • public-demos

      Public
      Jupyter Notebook
      •1•2•1•2•Updated Apr 27, 2023Apr 27, 2023

    • XAS-NNE

      Public
      Neural network ensembles for X-ray absorption spectroscopy of molecules and materials.
      Jupyter Notebook
      •
      BSD 3-Clause "New" or "Revised" License
      •1•0•0•1•Updated Apr 16, 2023Apr 16, 2023

    • RankAAE

      Public
      Cluster spectra with coarse grain constraint and disentangle chemical information automatically.
      Python
      •
      BSD 3-Clause "New" or "Revised" License
      •2•1•0•0•Updated Nov 7, 2022Nov 7, 2022

    • aimm-post-processing

      Public
      This repository is depricated. We will be doing all postprocessing in `aimmdb.postprocessing`.
      Python
      •
      Other
      •3•0•7•2•Updated Sep 28, 2022Sep 28, 2022

    • tiled

      Public
      This is an experimental prototype intended for comment. Do not use.
      Python
      •
      BSD 3-Clause "New" or "Revised" License
      •80•0•0•0•Updated Aug 16, 2021Aug 16, 2021
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