Mat3ra.com

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68 repositories

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•18•Updated Aug 15, 2025Aug 15, 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 14, 2025Aug 14, 2025
ade.js
Public
Part of the Mat3ra Workflow Ecosystem
TypeScript
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Other
•0•1•0•7•Updated Aug 14, 2025Aug 14, 2025
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•12•Updated Aug 13, 2025Aug 13, 2025
mode.js
Public
Models and Methods used in the Mat3ra Workflow Ecosystem
JavaScript
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Other
•0•0•0•14•Updated Aug 12, 2025Aug 12, 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•11•Updated Aug 12, 2025Aug 12, 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•13•Updated Aug 12, 2025Aug 12, 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•3•Updated Aug 12, 2025Aug 12, 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
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 9, 2025Aug 9, 2025
jupyterlite
Public
Shell
•0•0•0•2•Updated Aug 9, 2025Aug 9, 2025
prode.js
Public
Property definitions used within the Mat3ra Workflow Ecosystem
JavaScript
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Other
•0•0•0•3•Updated Aug 8, 2025Aug 8, 2025
cove.js
Public
TypeScript
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Other
•0•0•0•1•Updated Aug 7, 2025Aug 7, 2025
code
Public
COre DEfinitions
TypeScript
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Other
•0•2•0•8•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
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•12•Updated Jul 22, 2025Jul 22, 2025
eslint-config
Public
JavaScript
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Other
•0•1•0•0•Updated May 13, 2025May 13, 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•0•Updated Apr 29, 2025Apr 29, 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