Laboratory for AI for Materials

All

46 repositories

xtal2txt
Public
Python
•
MIT License
•1•6•9•0•Updated Dec 21, 2025Dec 21, 2025
copolymer-reactivity
Public
Jupyter Notebook
•
MIT License
•0•1•1•0•Updated Dec 18, 2025Dec 18, 2025
lama-aesthetics
Public
Plotting styles and helpers by LamaLab
Python
•
MIT License
•0•3•1•0•Updated Dec 17, 2025Dec 17, 2025
GPMs-book
Public
TeX
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MIT License
•0•10•3•1•Updated Dec 8, 2025Dec 8, 2025
manege
Public
Manège is an automatic benchmarking space for evaluating the capabilities of LLMs
Python
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MIT License
•0•2•7•0•Updated Nov 22, 2025Nov 22, 2025
PolyStabilis
Public
Jupyter Notebook
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MIT License
•0•0•0•0•Updated Nov 21, 2025Nov 21, 2025
PolyMetriX
Public
PolyMetriX is a comprehensive Python library that powers the entire machine learning workflow for polymer informatics.
machine-learning polymer-informatics physics-informed-featurization curated-tg-dataset
Python
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MIT License
•6•38•0•0•Updated Nov 17, 2025Nov 17, 2025
promptstore
Public
prompt prompt-toolkit llm
Python
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MIT License
•0•5•1•1•Updated Nov 15, 2025Nov 15, 2025
LamaBlueprint
Public
Template for all LamaLab GitHub repositories.
Python
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MIT License
•172•0•0•0•Updated Nov 10, 2025Nov 10, 2025
PolyBind
Public
API for getting embeddings for different polymer identifiers
embeddings self-supervised-learning contrastive-learning multi-modal-representations
Python
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MIT License
•0•5•0•0•Updated Nov 7, 2025Nov 7, 2025
photocat-hte
Public
Python
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MIT License
•1•2•8•0•Updated Nov 6, 2025Nov 6, 2025
chembench
Public
How good are LLMs at chemistry?
benchmark machine-learning chemistry safety materials-science llm llms llms-benchmarking
Python
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MIT License
•14•126•55•5•Updated Nov 5, 2025Nov 5, 2025
lamalab.github.io
Public
HTML
•1•3•6•0•Updated Oct 22, 2025Oct 22, 2025
chempile-scripts
Public
Scripts for ChemPile
Python
•0•2•0•0•Updated Oct 20, 2025Oct 20, 2025
ddp_trainer
Public
Python
•0•0•0•0•Updated Oct 13, 2025Oct 13, 2025
secs
Public
SECS is a machine learning framework designed for structure elucidation from spectra such as NMR and IR.
Jupyter Notebook
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Other
•3•23•4•0•Updated Oct 3, 2025Oct 3, 2025
macbench
Public
Probing the limitations of multimodal language models for chemistry and materials research
benchmark materials chemistry vlm llm vllm mutlimodal
Python
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MIT License
•1•22•8•4•Updated Oct 1, 2025Oct 1, 2025
secs-app
Public
The app to run SECS.
Python
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GNU Affero General Public License v3.0
•0•3•0•0•Updated Sep 17, 2025Sep 17, 2025
llm-tutorial
Public
Tutorial on LLMs and agents
Jupyter Notebook
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MIT License
•14•29•0•0•Updated Sep 10, 2025Sep 10, 2025
UniPolymer
Public
MoleculeBind is a machine-learning framework for chemistry, where we target unifying various molecular representations into one common latent space (SELFIES, SMILES, Graph, Structures, Fingerprints, Molecular Spectra)
Jupyter Notebook
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Other
•3•0•0•0•Updated Aug 19, 2025Aug 19, 2025
chem-env
Public
Python
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Apache License 2.0
•2•1•0•1•Updated Aug 13, 2025Aug 13, 2025
chem-caption
Public
Python
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MIT License
•1•4•20•0•Updated Aug 7, 2025Aug 7, 2025
chempile
Public
ChemPile project
Python
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MIT License
•45•19•0•1•Updated Jul 31, 2025Jul 31, 2025
data-extraction-tutorial
Public
Jupyter Notebook
•0•0•0•0•Updated Jul 3, 2025Jul 3, 2025
toolminutes
Public
JavaScript
•9•6•3•3•Updated Jul 1, 2025Jul 1, 2025
matextract-book
Public
Jupyter Notebook
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MIT License
•6•45•14•6•Updated Jun 30, 2025Jun 30, 2025
rag-tutorial
Public
Jupyter Notebook
•0•3•0•0•Updated Jun 23, 2025Jun 23, 2025
MolScribe
Public
Robust Molecular Structure Recognition with Image-to-Graph Generation
Python
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MIT License
•54•0•0•0•Updated May 11, 2025May 11, 2025
irt-on-bench
Public
Systematic analysis of benchmark results
Python
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MIT License
•0•2•1•0•Updated Apr 15, 2025Apr 15, 2025
pyepal
Public
Multiobjective active learning with tunable accuracy/efficiency tradeoff and clear stopping criterion.
python machine-learning hacktoberfest active-learning pareto multiobjective
Python
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Apache License 2.0
•6•41•16•9•Updated Mar 20, 2025Mar 20, 2025