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    22 repositories

    • kim-tools

      Public
      KIMTestDriver and CrystalGenomeTestDriver classes for creating OpenKIM Test Drivers
      Python
      •
      Other
      •0•0•0•0•Updated Mar 20, 2025Mar 20, 2025

    • kimpy

      Public
      Python interface to the KIM API. See https://openkim.org/kim-api for more information about the KIM API.
      C++
      •
      Other
      •4•16•3•0•Updated Mar 19, 2025Mar 19, 2025

    • kim-api

      Public
      The Open Knowledgebase of Interatomic Models (OpenKIM) aims to be an online resource for standardized testing, long-term warehousing and easy retrieval of interatomic models and data.
      C++
      •
      GNU Lesser General Public License v2.1
      •21•32•15•0•Updated Mar 13, 2025Mar 13, 2025

    • libdescriptor

      Public
      Auto-differentiated descriptors using Enzyme
      C++
      •0•12•3•0•Updated Mar 12, 2025Mar 12, 2025

    • openkim-properties-wiki

      Public
      0•0•0•0•Updated Mar 11, 2025Mar 11, 2025

    • kliff

      Public
      KIM-based Learning-Integrated Fitting Framework for interatomic potentials.
      machine-learningmolecular-dynamicsforce-fieldskimmaterials-modellinginteratomic-potentials
      Python
      •
      GNU Lesser General Public License v2.1
      •20•34•25•5•Updated Feb 28, 2025Feb 28, 2025

    • developer-platform

      Public
      KIM Developer Platform
      Python
      •
      Other
      •2•4•3•0•Updated Feb 27, 2025Feb 27, 2025

    • kim-property

      Public
      KIM-PROPERTY utility module
      lammpskimopenkimkim-propertykim-edn
      Python
      •
      GNU Lesser General Public License v2.1
      •3•5•0•0•Updated Feb 27, 2025Feb 27, 2025

    • openkim-properties

      Public
      Python
      •4•1•0•0•Updated Feb 27, 2025Feb 27, 2025

    • openkim-demo

      Public
      OpenKIM demo examples
      Jupyter Notebook
      •
      GNU Lesser General Public License v2.1
      •1•3•0•0•Updated Feb 6, 2025Feb 6, 2025

    • kim-query

      Public
      Python
      •
      Other
      •0•1•0•0•Updated Jan 26, 2025Jan 26, 2025

    • klay

      Public
      Simplified nequip like layers for creating nequip-like models
      Python
      •
      MIT License
      •1•3•0•0•Updated Oct 22, 2024Oct 22, 2024

    • openkim-items-wiki

      Public
      0•0•0•0•Updated Sep 25, 2024Sep 25, 2024

    • kimvv

      Public
      KIM Validation and Verification
      Python
      •
      GNU Lesser General Public License v2.1
      •0•0•0•0•Updated Aug 2, 2024Aug 2, 2024

    • kusp

      Public
      Rapid ML model deployment utility for KIM API
      C++
      •1•1•0•0•Updated Jul 27, 2024Jul 27, 2024

    • kim-python-utils

      Public
      Python utilities associated with the Knowledgebase of Interatomic Models (KIM) project
      Python
      •
      Other
      •3•3•1•0•Updated Jul 10, 2024Jul 10, 2024

    • crystal-genome-initial-structures

      Public
      Initial guesses for structural relaxation used in the Crystal Genome testing framework
      0•0•0•0•Updated Jun 24, 2024Jun 24, 2024

    • crystal-genome-util

      Public
      Common functions used by Crystal Genome test drivers
      Python
      •
      GNU Lesser General Public License v2.1
      •0•0•0•0•Updated May 27, 2024May 27, 2024

    • kim-edn

      Public
      KIM-EDN encoder and decoder
      Python
      •
      GNU Lesser General Public License v2.1
      •0•5•0•0•Updated Mar 27, 2024Mar 27, 2024

    • kim-property-add-crystal-genome

      Public
      KIM-PROPERTY utility module
      Python
      •
      GNU Lesser General Public License v2.1
      •3•0•0•0•Updated Feb 21, 2023Feb 21, 2023

    • numdifftools

      Public
      Solve automatic numerical differentiation problems in one or more variables.
      Python
      •
      BSD 3-Clause "New" or "Revised" License
      •45•1•0•0•Updated Aug 19, 2022Aug 19, 2022

    • kim-convergence

      Public
      The convergence package is designed to help in automatic equilibration detection & run length control.
      Python
      •
      GNU Lesser General Public License v2.1
      •0•1•0•0•Updated Sep 7, 2021Sep 7, 2021