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    14 repositories

    • PiNN

      Public
      A Python library for building atomic neural networks
      Python
      •
      BSD 3-Clause "New" or "Revised" License
      •35•110•0•3•Updated Feb 12, 2025Feb 12, 2025

    • CCS

      Public
      Curvature Constrained Splines
      Python
      •
      GNU General Public License v3.0
      •11•8•8•0•Updated Feb 3, 2025Feb 3, 2025

    • PiNNAcLe

      Public
      Adaptive learn-on-the-fly workflow for machine learning potential
      Nextflow
      •
      BSD 3-Clause "New" or "Revised" License
      •0•3•0•0•Updated Sep 2, 2024Sep 2, 2024

    • GroPoB

      Public
      Building MD simulations for polymer electrolyte system
      Jupyter Notebook
      •0•3•0•0•Updated Aug 21, 2024Aug 21, 2024

    • 1KB260_COURSE_MATERIAL

      Public
      Course material for 1KB260
      Jupyter Notebook
      •1•0•0•0•Updated Aug 29, 2023Aug 29, 2023

    • DoE_Course_Material

      Public
      Notebooks for workshops of DoE course, hosted by the Computational Materials Chemistry group at Uppsala University
      Jupyter Notebook
      •
      GNU General Public License v3.0
      •14•2•0•1•Updated Jun 26, 2023Jun 26, 2023

    • TeChnicality

      Public
      Public Technical Notes by the TeC Group
      JavaScript
      •0•0•0•0•Updated May 11, 2023May 11, 2023

    • PiNN_lab

      Public
      Machine learning tutorials for computatoinal chemistry course
      Jupyter Notebook
      •
      GNU General Public License v3.0
      •1•3•0•0•Updated May 1, 2023May 1, 2023

    • CCS_Rcut_0

      Public
      Curvature Constrained Splines
      Python
      •
      GNU General Public License v3.0
      •11•0•0•0•Updated Apr 13, 2023Apr 13, 2023

    • Ceria_DFTB

      Public
      Python
      •0•1•0•0•Updated Feb 2, 2023Feb 2, 2023

    • ccs_fit-feedstock

      Public
      A conda-smithy repository for ccs_fit.
      0•0•0•0•Updated Jan 13, 2023Jan 13, 2023

    • Predicting-frequency-from-the-external-chemical-environment-Data-sets

      Public
      0•0•0•0•Updated Aug 29, 2022Aug 29, 2022

    • ParAutomatik

      Public
      Jupyter Notebook
      •
      BSD 3-Clause "New" or "Revised" License
      •1•2•0•0•Updated Mar 3, 2022Mar 3, 2022

    • PiNNboard

      Public
      PiNN plugin for Tensorboard
      JavaScript
      •
      BSD 3-Clause "New" or "Revised" License
      •4•0•0•0•Updated May 14, 2021May 14, 2021