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++32 12 3621
kim-edn
KIM-EDN encoder and decoder
Language:Python5 4 10
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 10 23
kimpy
Python interface to the KIM API. See https://openkim.org/kim-api for more information about the KIM API.
Language:C++16 10 124
klay
Simplified nequip like layers for creating nequip-like models
Language:Python3 1 01
kliff
KIM-based Learning-Integrated Fitting Framework for interatomic potentials.
Language:Python34 4 4219
libdescriptor
Auto-differentiated descriptors using Enzyme
Language:C++12 4 40
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 4219
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++32 12 3621
openkim/kimpy
Python interface to the KIM API. See https://openkim.org/kim-api for more information about the KIM API.
Language:C++16 10 124
openkim/libdescriptor
Auto-differentiated descriptors using Enzyme
Language:C++12 4 40
openkim/kim-edn
KIM-EDN encoder and decoder
Language:Python5 4 10
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 10 23
openkim/klay
Simplified nequip like layers for creating nequip-like models
Language:Python3 1 01
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 5 10
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 11 04
openkim/crystal-genome-initial-structures
Initial guesses for structural relaxation used in the Crystal Genome testing framework
4 0
openkim/crystal-genome-util
Common functions used by Crystal Genome test drivers
Language:Python2 0
openkim/kim-property-add-crystal-genome
KIM-PROPERTY utility module
Language:Python1 0
openkim/kim-tools
KIMTestDriver and CrystalGenomeTestDriver classes for creating OpenKIM Test Drivers
Language:Python5 0
openkim/kimvv
KIM Validation and Verification
Language:Python4 0
openkim/openkim-items-wiki
9 0
openkim/openkim-properties-wiki
9 0