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68 repositories

made
Public
Materials Design in Javascript (made.js). A JavaScript (Node) library allowing for the creation and manipulation of material structures from atoms up on the web.
javascript materials chemistry crystallography atomic-design materials-science materials-informatics computer-aided-design materials-design
Python
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Other
•4•7•0•13•Updated Aug 23, 2025Aug 23, 2025
api-examples
Public
Example usage of Exabyte.io platform through its RESTful API: programmatically create materials and modeling workflows, execute simulations on the cloud, analyze data and build machine learning models
python machine-learning materials jupyter jupyter-notebook materials-science materials-informatics materials-design materials-genome exabyte-io
Jupyter Notebook
•4•6•0•14•Updated Aug 22, 2025Aug 22, 2025
documentation
Public
Exabyte.io platform documentation containing a detailed explanation of the entities, and their relationship, as well as a list of hands-on video tutorials.
materials chemistry cloud-computing materials-science materials-informatics simulation-modeling materials-genome exabyte-io
Python
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Other
•2•8•1•4•Updated Aug 22, 2025Aug 22, 2025
prode.js
Public
Property definitions used within the Mat3ra Workflow Ecosystem
JavaScript
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Other
•0•0•0•3•Updated Aug 22, 2025Aug 22, 2025
code
Public
COre DEfinitions
TypeScript
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Other
•0•2•0•9•Updated Aug 22, 2025Aug 22, 2025
esse
Public
JSON schemas and examples representing structural data, characteristic properties, modeling workflows and related data about materials standardizing the diverse landscape of information
machine-learning materials density-functional-theory materials-science materials-informatics simulation-modeling materials-design digital-transformation materials-genome
Python
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Other
•4•7•2•17•Updated Aug 22, 2025Aug 22, 2025
wave.js
Public
Web-based Atomic Viewer and Editor. A JavaScript library for 3D atomic visualization and editing enabling the manipulation of material structures from atoms up on the web.
threejs materials atomic-design 3d-models computer-aided-design
JavaScript
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Other
•3•6•1•14•Updated Aug 22, 2025Aug 22, 2025
cli-job-examples
Public
Example data for command-line batch jobs with commonly used packages
Shell
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Apache License 2.0
•1•1•0•1•Updated Aug 22, 2025Aug 22, 2025
wode.js
Public
Workflow Definitions for Digital Materials/Chemistry R&D
chemistry chemical-engineering materials-science materials-informatics materials-design workflow
JavaScript
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Other
•0•0•1•10•Updated Aug 21, 2025Aug 21, 2025
ade.js
Public
Part of the Mat3ra Workflow Ecosystem
TypeScript
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Other
•0•1•0•6•Updated Aug 20, 2025Aug 20, 2025
mode.js
Public
Models and Methods used in the Mat3ra Workflow Ecosystem
JavaScript
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Other
•0•0•0•13•Updated Aug 20, 2025Aug 20, 2025
express
Public
ExPrESS: Exabyte Property Extractor, Sourcer, Serializer. A python package allowing to extract and standardize materials data from native format for physics-based simulation engines.
materials density-functional-theory materials-science materials-informatics materials-design materials-genome
Python
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Other
•2•3•1•2•Updated Aug 20, 2025Aug 20, 2025
application-flavors
Public
Runtime assets for the various application flavors in the Exabyte platform workflow units
Python
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Other
•0•1•0•12•Updated Aug 20, 2025Aug 20, 2025
jupyterlite
Public
Shell
•0•0•0•3•Updated Aug 19, 2025Aug 19, 2025
materials-designer
Public
A standalone React.js/Redux based web application for the design and visualization of atomistic materials structures. Used at Mat3ra.com and can be deployed in standalone mode.
react threejs materials materials-science materials-informatics modeling-tool atomistic-models computer-aided-design materials-design
TypeScript
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Other
•10•12•2•18•Updated Aug 11, 2025Aug 11, 2025
cove.js
Public
TypeScript
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Other
•0•0•0•1•Updated Aug 7, 2025Aug 7, 2025
standata
Public
Examples of data structures in ESSE format (Essential Source of Schemas and Examples).
Python
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Other
•0•1•0•3•Updated Jul 30, 2025Jul 30, 2025
mat3ra-jupyterlite-extension-data-bridge
Public
Extension for JupyterLite to exchange data between Pyodide and JS environment of Materials Designer
Shell
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BSD 3-Clause "New" or "Revised" License
•0•0•0•0•Updated Jul 30, 2025Jul 30, 2025
eslint-config
Public
JavaScript
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Other
•0•1•0•0•Updated May 13, 2025May 13, 2025
tede
Public
TypeScript
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Other
•0•0•0•0•Updated Apr 17, 2025Apr 17, 2025
utils
Public
Dual-purpose JS/PY utils repository
TypeScript
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Other
•0•0•0•0•Updated Apr 15, 2025Apr 15, 2025
rewotes
Public
REal WOrld TEstS: a set of quick take-home assignments used to test one's fit for a position with the company.
61•18•0•37•Updated Feb 27, 2025Feb 27, 2025
api-client
Public
Python client for Exabyte RESTful API
materials rest-api python-client materials-science materials-informatics exabyte-io
Python
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Other
•0•2•0•1•Updated Feb 8, 2025Feb 8, 2025
periodic-table
Public
Data about chemical elements arranged in JSON format
data-science materials chemistry cheminformatics materials-informatics chemical-elements periodic-table periodic-table-of-elements
Python
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Other
•1•1•0•5•Updated Jan 18, 2025Jan 18, 2025
build-pyodide
Public
Build wheels with pyodide
BSD 3-Clause "New" or "Revised" License
•1•1•0•1•Updated Dec 28, 2024Dec 28, 2024
icet
Public
A GitHub fork of https://gitlab.com/materials-modeling/icet
Python
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Mozilla Public License 2.0
•0•0•0•0•Updated Dec 26, 2024Dec 26, 2024
json-to-simpl-schema
Public
JSON Schema to Simp schema conversion routines
JavaScript
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Other
•2•2•1•1•Updated Nov 14, 2024Nov 14, 2024
simpl-schema
Public
For of simpl-schema to introduce/merge support for oneOf
JavaScript
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MIT License
•116•0•0•2•Updated Nov 13, 2024Nov 13, 2024
pbs-python
Public
Python
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Other
•3•1•0•0•Updated Nov 2, 2024Nov 2, 2024
surfsara-pbs-python
Public
A git fork of the SURFsara Subversion repository's trunk, located at https://oss.trac.surfsara.nl/pbs_python/wiki
C++
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GNU Lesser General Public License v3.0
•1•0•0•0•Updated Oct 30, 2024Oct 30, 2024