OpenKIM

Pinned Repositories

developer-platform
KIM Developer Platform
Language:Python4 9 62
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.
Language:C++31 12 3520
kim-edn
KIM-EDN encoder and decoder
Language:Python5 3 00
kim-property
KIM-PROPERTY utility module
Language:Python5 5 43
kim-python-utils
Python utilities associated with the Knowledgebase of Interatomic Models (KIM) project
Language:Python3 9 23
kimpy
Python interface to the KIM API. See https://openkim.org/kim-api for more information about the KIM API.
Language:C++14 10 114
kliff
KIM-based Learning-Integrated Fitting Framework for interatomic potentials.
Language:Python34 4 4020
libdescriptor
Auto-differentiated descriptors using Enzyme
Language:C++11 2 40
numdifftools
Solve automatic numerical differentiation problems in one or more variables.
Language:Python1 8 01
openkim-demo
OpenKIM demo examples
Language:Jupyter Notebook3 3 01

OpenKIM's Repositories

openkim/kliff
KIM-based Learning-Integrated Fitting Framework for interatomic potentials.
Language:Python34 4 4020
openkim/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.
Language:C++31 12 3520
openkim/kimpy
Python interface to the KIM API. See https://openkim.org/kim-api for more information about the KIM API.
Language:C++14 10 114
openkim/libdescriptor
Auto-differentiated descriptors using Enzyme
Language:C++11 2 40
openkim/kim-edn
KIM-EDN encoder and decoder
Language:Python5 3 00
openkim/kim-property
KIM-PROPERTY utility module
Language:Python5 5 43
openkim/developer-platform
KIM Developer Platform
Language:Python4 9 62
openkim/kim-python-utils
Python utilities associated with the Knowledgebase of Interatomic Models (KIM) project
Language:Python3 9 23
openkim/openkim-demo
OpenKIM demo examples
Language:Jupyter Notebook3 3 01
openkim/kim-convergence
The convergence package is designed to help in automatic equilibration detection & run length control.
Language:Python1 4 00
openkim/kim-query
Language:Python1 3 3
openkim/kusp
Rapid ML model deployment utility for KIM API
Language:C++1 2 01
openkim/numdifftools
Solve automatic numerical differentiation problems in one or more variables.
Language:Python1 8 01
openkim/openkim-properties
Language:Python1 10 04
openkim/crystal-genome-initial-structures
Initial guesses for structural relaxation used in the Crystal Genome testing framework
openkim/crystal-genome-util
Common functions used by Crystal Genome test drivers
Language:Python1 0
openkim/kim-property-add-crystal-genome
KIM-PROPERTY utility module
Language:Python0 0
openkim/kim-tools
KIMTestDriver and CrystalGenomeTestDriver classes for creating OpenKIM Test Drivers
Language:Python
openkim/openkim-items-wiki
9 0
openkim/openkim-properties-wiki
9 0