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    • OmniXAS

      Public
      Python
      BSD 3-Clause "New" or "Revised" License
      0000Updated Dec 19, 2024Dec 19, 2024
    • Lightshow

      Public
      A one-stop-shop for handling data in computational spectroscopy
      Python
      BSD 3-Clause "New" or "Revised" License
      1015133Updated Dec 17, 2024Dec 17, 2024
    • Python
      BSD 3-Clause "New" or "Revised" License
      2014Updated Jul 29, 2024Jul 29, 2024
    • aimmdb

      Public
      Python
      BSD 3-Clause "New" or "Revised" License
      100223Updated 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
      1310Updated May 1, 2024May 1, 2024
    • Jupyter Notebook
      BSD 3-Clause "New" or "Revised" License
      1000Updated Mar 27, 2024Mar 27, 2024
    • Multimodal molecule insanity!
      Jupyter Notebook
      BSD 3-Clause "New" or "Revised" License
      0100Updated Jan 18, 2024Jan 18, 2024
    • HTML
      0000Updated Dec 17, 2023Dec 17, 2023
    • Models for computational spectroscopy
      Jupyter Notebook
      BSD 3-Clause "New" or "Revised" License
      0000Updated Dec 15, 2023Dec 15, 2023
    • NMC

      Public
      Repository for notebooks and code pertaining to working with NMC materials
      Jupyter Notebook
      0000Updated Nov 2, 2023Nov 2, 2023
    • A lightweight utility for generating molecules
      BSD 3-Clause "New" or "Revised" License
      0000Updated May 8, 2023May 8, 2023
    • Jupyter Notebook
      1212Updated 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
      1001Updated 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
      1100Updated Nov 7, 2022Nov 7, 2022
    • This repository is depricated. We will be doing all postprocessing in `aimmdb.postprocessing`.
      Python
      Other
      3072Updated 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
      52000Updated Aug 16, 2021Aug 16, 2021