Laboratory for AI for Materials

All

35 repositories

chem-env
Public
Python
•
Apache License 2.0
•2•0•0•1•Updated Apr 4, 2025Apr 4, 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
•8•70•47•3•Updated Apr 4, 2025Apr 4, 2025
MoleculeBind
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
•2•18•15•0•Updated Mar 25, 2025Mar 25, 2025
PolyMetriX
Public
Python
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MIT License
•2•12•1•0•Updated Mar 24, 2025Mar 24, 2025
pyepal
Public
Multiobjective active learning with tunable accuracy/efficiency tradeoff and clear stopping criterion.
machine-learning hacktoberfest active-learning pareto multiobjective python
Python
•
Apache License 2.0
•6•40•16•9•Updated Mar 20, 2025Mar 20, 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
•
Other
•2•0•0•0•Updated Mar 18, 2025Mar 18, 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
•0•12•6•2•Updated Mar 17, 2025Mar 17, 2025
matextract-book
Public
Jupyter Notebook
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MIT License
•4•39•13•5•Updated Mar 17, 2025Mar 17, 2025
eval-cards
Public
MIT License
•0•3•0•0•Updated Mar 13, 2025Mar 13, 2025
RxnScribe
Public
A Sequence Generation Model for Reaction Diagram Parsing
Jupyter Notebook
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MIT License
•24•0•0•0•Updated Mar 13, 2025Mar 13, 2025
MolScribe
Public
Robust Molecular Structure Recognition with Image-to-Graph Generation
Python
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MIT License
•41•0•0•0•Updated Mar 13, 2025Mar 13, 2025
promptstore
Public
prompt prompt-toolkit llm
Python
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MIT License
•0•4•1•0•Updated Mar 9, 2025Mar 9, 2025
LamaBlueprint
Public
Template for all LamaLab GitHub repositories.
Python
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MIT License
•87•0•0•0•Updated Mar 9, 2025Mar 9, 2025
lama-aesthetics
Public
Plotting styles and helpers by LamaLab
Python
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MIT License
•0•2•1•0•Updated Mar 7, 2025Mar 7, 2025
lamalab.github.io
Public
HTML
•0•1•7•1•Updated Mar 1, 2025Mar 1, 2025
chempile
Public
ChemNLP project
Python
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MIT License
•45•0•0•0•Updated Feb 21, 2025Feb 21, 2025
chem-caption
Public
Python
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MIT License
•0•2•23•4•Updated Feb 18, 2025Feb 18, 2025
toolminutes
Public
JavaScript
•8•6•3•1•Updated Feb 5, 2025Feb 5, 2025
structuregraph-helpers
Public
Helpers for working with pymatgen structure graphs.
chemistry graph structure materials-science materials-informatics pymatgen computational-materials-science structure-graph
Python
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MIT License
•1•11•10•1•Updated Feb 4, 2025Feb 4, 2025
PolyNanoStabML
Public
Jupyter Notebook
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MIT License
•0•0•0•0•Updated Jan 29, 2025Jan 29, 2025
chembench-paper
Public
HTML
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MIT License
•1•21•7•2•Updated Jan 22, 2025Jan 22, 2025
Academic-project-page-template
Public template
A project page template for academic papers. Demo at https://eliahuhorwitz.github.io/Academic-project-page-template/
JavaScript
•479•0•0•0•Updated Dec 19, 2024Dec 19, 2024
task-standard
Public
METR Task Standard - agent
TypeScript
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MIT License
•32•0•0•0•Updated Dec 17, 2024Dec 17, 2024
MatText
Public
Text-based modeling of materials.
chemistry transformer llama materials-science bert material-informatics llm
Jupyter Notebook
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MIT License
•2•31•13•1•Updated Nov 26, 2024Nov 26, 2024
spectra-app
Public
Python
•0•0•0•0•Updated Nov 22, 2024Nov 22, 2024
mofdscribe
Public
An ecosystem for digital reticular chemistry
data-science benchmark machine-learning metrics ml splitting artificial-intelligence hacktoberfest descriptors mof
Python
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MIT License
•7•47•117•4•Updated Sep 10, 2024Sep 10, 2024
chem-bench-app
Public
Frontend for evaluating humans on chemistry questions
benchmark machine-learning ai chemistry artificial-intelligence eval llm
TypeScript
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MIT License
•0•7•19•0•Updated Sep 1, 2024Sep 1, 2024
chemsense
Public
Jupyter Notebook
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BSD 3-Clause "New" or "Revised" License
•0•0•1•1•Updated Sep 1, 2024Sep 1, 2024
.github
Public
0•0•0•0•Updated Aug 21, 2024Aug 21, 2024
llm-tutorial
Public
Tutorial on LLMs and agents
Jupyter Notebook
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MIT License
•6•16•0•0•Updated Jul 8, 2024Jul 8, 2024