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67 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
•3•6•0•9•Updated Dec 16, 2024Dec 16, 2024
code
Public
COre DEfinitions
TypeScript
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Other
•0•2•0•8•Updated Dec 14, 2024Dec 14, 2024
utils
Public
Dual-purpose JS/PY utils repository
TypeScript
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Other
•0•0•0•0•Updated Dec 13, 2024Dec 13, 2024
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
•3•5•0•8•Updated Dec 13, 2024Dec 13, 2024
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•5•1•2•Updated Dec 12, 2024Dec 12, 2024
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•6•2•16•Updated Dec 6, 2024Dec 6, 2024
application-flavors
Public
Runtime assets for the various application flavors in the Exabyte platform workflow units
Python
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Other
•0•0•0•13•Updated Dec 5, 2024Dec 5, 2024
ade.js
Public
Part of the Mat3ra Workflow Ecosystem
JavaScript
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Other
•0•0•0•6•Updated Dec 5, 2024Dec 5, 2024
standata
Public
Examples of data structures in ESSE format (Essential Source of Schemas and Examples).
Python
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Other
•0•0•0•1•Updated Nov 27, 2024Nov 27, 2024
eslint-config
Public
JavaScript
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Other
•0•0•0•1•Updated Nov 27, 2024Nov 27, 2024
jupyterlite
Public
Shell
•0•0•0•0•Updated Nov 20, 2024Nov 20, 2024
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
JavaScript
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Other
•11•10•2•20•Updated Nov 20, 2024Nov 20, 2024
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 Nov 20, 2024Nov 20, 2024
json-to-simpl-schema
Public
JSON Schema to Simp schema conversion routines
JavaScript
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Other
•1•2•0•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
•115•0•0•2•Updated Nov 13, 2024Nov 13, 2024
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•8•Updated Nov 3, 2024Nov 3, 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
action-s3-deploy
Public
Easily deploy a static website to AWS S3 and invalidate CloudFront distribution
JavaScript
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MIT License
•83•0•0•0•Updated Oct 16, 2024Oct 16, 2024
three.js
Public
JavaScript 3D library.
JavaScript
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MIT License
•35k•0•0•1•Updated Aug 21, 2024Aug 21, 2024
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•2•1•3•Updated Aug 14, 2024Aug 14, 2024
prode.js
Public
Property definitions used within the Mat3ra Workflow Ecosystem
JavaScript
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Other
•0•0•0•2•Updated Aug 12, 2024Aug 12, 2024
cove.js
Public
TypeScript
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Other
•0•0•0•1•Updated Aug 8, 2024Aug 8, 2024
wave.js
Public
Web-based Atomic Viewer by Exabyte. 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•5•1•11•Updated Aug 1, 2024Aug 1, 2024
build-pyodide
Public
Build wheels with pyodide
BSD 3-Clause "New" or "Revised" License
•1•0•0•1•Updated Jul 29, 2024Jul 29, 2024
rewotes
Public
REal WOrld TEstS: a set of quick take-home assignments used to test one's fit for a position with the company.
64•17•0•41•Updated Jul 26, 2024Jul 26, 2024
tede
Public
TypeScript
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Other
•0•0•0•0•Updated Jul 23, 2024Jul 23, 2024
digital-materials-rnd-directory
Public
Curated list of known efforts in materials informatics
88•1•0•1•Updated Jul 12, 2024Jul 12, 2024
pymatgen
Public
Python Materials Genomics (pymatgen) is a robust materials analysis code that defines classes for structures and molecules with support for many electronic structure codes. It powers the Materials Project.
Python
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Other
•871•0•0•0•Updated Jun 20, 2024Jun 20, 2024
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
JavaScript
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Other
•1•1•0•5•Updated Jun 7, 2024Jun 7, 2024