OpenKIM

kliff

KIM-based Learning-Integrated Fitting Framework for interatomic potentials.

kim-api

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.

kimpy

Python interface to the KIM API. See https://openkim.org/kim-api for more information about the KIM API.

libdescriptor

Auto-differentiated descriptors using Enzyme

kim-edn

KIM-EDN encoder and decoder

kim-property

KIM-PROPERTY utility module

developer-platform

KIM Developer Platform

kim-python-utils

Python utilities associated with the Knowledgebase of Interatomic Models (KIM) project

openkim-demo

OpenKIM demo examples

kim-convergence

The convergence package is designed to help in automatic equilibration detection & run length control.

kim-query

kusp

Rapid ML model deployment utility for KIM API

numdifftools

Solve automatic numerical differentiation problems in one or more variables.

openkim-properties

crystal-genome-util

Common functions used by Crystal Genome test drivers

kim-property-add-crystal-genome

KIM-PROPERTY utility module

kim-test-utils

openkim-items-wiki

openkim-properties-wiki