Repositories list

• AutoEMX

  Public
  Automated Electron Microscopy X-ray spectroscopy for compositional characterization of materials. Currently supporting SEM EDS.

  automationcompositionelectron-microscopy+ 7

  automationcompositionelectron-microscopymicroscopysemedspowderxray-spectroscopysem-edspowder-composition

  Python

  •

  Other

  •22 forks•99 stars•00 issues•00 pull requests•Updated Jul 21, 2026Jul 21, 2026

• CASCADE

  Public
  Cumulative Agentic Skill Creation through Autonomous Development and Evolution

  Python

  •

  MIT License

  •55 forks•3030 stars•00 issues•00 pull requests•Updated Jul 19, 2026Jul 19, 2026

• dara

  Public
  DARA: Data-driven Automated Rietveld Analysis for powder XRD phase search and refinement

  material-sciencexrdrietveld-refinement+ 1

  material-sciencexrdrietveld-refinementtree-searching

  Python

  •

  MIT License

  •1717 forks•5353 stars•22 issues•00 pull requests•Updated Jul 19, 2026Jul 19, 2026

• sparse-lm

  Public
  Sparse Linear Regression Models

  Python

  •

  Other

  •66 forks•2020 stars•22 issues•33 pull requests•Updated Jul 14, 2026Jul 14, 2026

• smol

  Public
  Statistical Mechanics on Lattices

  monte-carlostatistical-mechanicsising-model+ 3

  monte-carlostatistical-mechanicsising-modelmaterials-sciencelattice-gascluster-expansion

  Python

  •

  Other

  •1919 forks•9999 stars•1616 issues•99 pull requests•Updated Jul 14, 2026Jul 14, 2026

• WFacer

  Public
  Modulated automation of cluster expansion based on atomate2 and Jobflow

  statistical-mechanicscluster-expansionatomistic-modelling+ 1

  statistical-mechanicscluster-expansionatomistic-modellinglattice-thermodynamics

  Python

  •

  Other

  •22 forks•1212 stars•33 issues•1313 pull requests•Updated Jul 14, 2026Jul 14, 2026

• MultiTimescaleKMC

  Public
  Performs KMC simulations to obtain DELTA structures from a DRX starting point using smol. The distinct timescales of Mn and Li hops are worked around by impleme…

  Python

  •00 forks•00 stars•00 issues•00 pull requests•Updated Jun 25, 2026Jun 25, 2026

• AutoInsituXRD

  Public
  Python library for handling automated in-situ heating XRD

  Python

  •00 forks•00 stars•00 issues•00 pull requests•Updated Jun 6, 2026Jun 6, 2026

• alab_gpss_public

  Public
  Python

  •00 forks•44 stars•00 issues•00 pull requests•Updated Apr 11, 2026Apr 11, 2026

• alab_control

  Public
  Python

  •

  MIT License

  •33 forks•99 stars•5656 issues•00 pull requests•Updated Feb 26, 2026Feb 26, 2026

• alabos

  Public
  AlabOS: Managing the workflows in the Autonomous lab

  Python

  •

  MIT License

  •1010 forks•5555 stars•2525 issues•11 pull request•Updated Feb 26, 2026Feb 26, 2026

• chgnet

  Public
  Pretrained universal neural network potential for charge-informed atomistic modeling https://chgnet.lbl.gov

  machine-learningatomistic-simulationsforce-fields+ 4

  machine-learningatomistic-simulationsforce-fieldsgraph-neural-networkscharge-transportcharge-distributioncomputational-materials-science

  Python

  •

  Other

  •100100 forks•394394 stars•44 issues•00 pull requests•Updated Feb 19, 2026Feb 19, 2026

• Spinel_Order_Parameter

  Public
  Python

  •00 forks•00 stars•00 issues•00 pull requests•Updated Feb 5, 2026Feb 5, 2026

• .github

  Public
  shared file and templates repo

  00 forks•00 stars•00 issues•00 pull requests•Updated Mar 17, 2025Mar 17, 2025

• TEMExtraction

  Public
  Jupyter Notebook

  •

  MIT License

  •11 fork•88 stars•00 issues•00 pull requests•Updated Jan 6, 2025Jan 6, 2025

• synthesis-action-retriever

  Public
  Annotated dataset and scripts for automatic retrieval of materials synthesis actions.

  Python

  •22 forks•55 stars•11 issue•00 pull requests•Updated Mar 18, 2024Mar 18, 2024

• MatEntityRecognition

  Public
  Extract materials from paragraphs and recognize the targets and precursors

  Python

  •44 forks•77 stars•11 issue•22 pull requests•Updated Mar 13, 2024Mar 13, 2024

• MaterialAmountExtractor

  Public
  Python

  •11 fork•00 stars•00 issues•00 pull requests•Updated Mar 13, 2024Mar 13, 2024

• text2chem

  Public
  RegEx-based text parser that converts chemical terms and material entities into chemical datastructure.

  natural-language-processingtext-miningnamed-entity-recognition+ 1

  natural-language-processingtext-miningnamed-entity-recognitionmaterial-science

  Python

  •

  MIT License

  •44 forks•44 stars•11 issue•00 pull requests•Updated Feb 4, 2024Feb 4, 2024

• SynthesisSimilarity

  Public
  Python

  •55 forks•4040 stars•00 issues•00 pull requests•Updated Nov 16, 2023Nov 16, 2023

• ValenceSolver

  Public
  Python

  •11 fork•00 stars•00 issues•00 pull requests•Updated Nov 13, 2023Nov 13, 2023

• text-mined-synthesis_public

  Public
  Codes for text-mined solid-state reactions dataset

  natural-language-processingtext-miningdataset+ 3

  natural-language-processingtext-miningdatasetmaterials-scienceinorganic-materials-synthesissolid-state-reactions

  Python

  •2525 forks•9595 stars•33 issues•00 pull requests•Updated Oct 7, 2023Oct 7, 2023

• alab_experiment_helper

  Public
  Python

  •11 fork•00 stars•00 issues•00 pull requests•Updated Dec 13, 2022Dec 13, 2022

• s4

  Public
  Solid-state synthesis science analyzer. Thermo, features, ML, and more.

  machine-learningthermodynamicsmaterials-science+ 3

  machine-learningthermodynamicsmaterials-sciencematerials-informaticsfeature-importancesolid-state-synthesis

  Jupyter Notebook

  •

  MIT License

  •88 forks•2727 stars•00 issues•00 pull requests•Updated Sep 1, 2022Sep 1, 2022

• text-mined-solution-synthesis_public

  Public
  Jupyter Notebook

  •33 forks•2020 stars•11 issue•00 pull requests•Updated May 25, 2022May 25, 2022

• synthesis-paragraph-classifier

  Public
  Codes and models for "Semi-supervised machine-learning classification of materials synthesis procedures". (https://doi.org/10.1038/s41524-019-0204-1)

  topic-modelingmaterials-sciencejournal-article+ 1

  topic-modelingmaterials-sciencejournal-articleclassification-model

  Python

  •

  MIT License

  •33 forks•1010 stars•00 issues•00 pull requests•Updated Apr 24, 2022Apr 24, 2022

• SynCheck

  Public
  SynCheck is a web interface for the Text Mining Pipeline that processes synthesis text, extracts information about targets, precursors and synthesis operations,…

  nlpnatural-language-processingmaterial-design+ 3

  nlpnatural-language-processingmaterial-designmaterials-sciencematerials-informaticsmaterial-synthesis

  Python

  •11 fork•00 stars•00 issues•00 pull requests•Updated Mar 5, 2022Mar 5, 2022

• MatBERT_NER

  Public
  General training framework for NER models on MatBERT

  Python

  •99 forks•1010 stars•22 issues•00 pull requests•Updated Feb 13, 2022Feb 13, 2022

• TEMExtraction-webapp

  Public
  Jupyter Notebook

  •00 forks•22 stars•00 issues•00 pull requests•Updated Dec 23, 2021Dec 23, 2021

• MaterialParser

  Public
  Utility to compile string of chemical terms into data structure with chemical formula and composition

  pythonnatural-language-processingtext-mining+ 5

  pythonnatural-language-processingtext-miningcompositionmaterials-sciencechemical-compoundsmaterial-parserchemical-terms

  Python

  •

  MIT License

  •77 forks•1313 stars•44 issues•11 pull request•Updated Sep 17, 2021Sep 17, 2021