Laboratory for AI for Materials

All

26 repositories

chembench
Public
How good are LLMs at chemistry?
benchmark machine-learning chemistry safety materials-science llm llms llms-benchmarking
HTML
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MIT License
•7•58•48•4•Updated Feb 20, 2025Feb 20, 2025
chempile
Public
ChemNLP project
Python
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MIT License
•45•0•0•1•Updated Feb 20, 2025Feb 20, 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•11•8•4•Updated Feb 20, 2025Feb 20, 2025
chem-caption
Public
Python
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MIT License
•0•2•23•4•Updated Feb 18, 2025Feb 18, 2025
matextract-book
Public
Jupyter Notebook
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MIT License
•4•35•11•5•Updated Feb 17, 2025Feb 17, 2025
promptstore
Public
prompt prompt-toolkit llm
Python
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MIT License
•0•4•1•0•Updated Feb 11, 2025Feb 11, 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 Feb 10, 2025Feb 10, 2025
toolminutes
Public
JavaScript
•7•6•3•0•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•20•7•2•Updated Jan 22, 2025Jan 22, 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
•1•16•16•0•Updated Jan 14, 2025Jan 14, 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
•404•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•27•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•44•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•6•18•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
•5•14•0•0•Updated Jul 8, 2024Jul 8, 2024
xtal2txt
Public
Python
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MIT License
•0•6•9•0•Updated Jun 9, 2024Jun 9, 2024
chemlift
Public
Language-interfaced fine-tuning for chemistry
materials chemistry hacktoberfest fine-tuning few-shot-learning llm
Jupyter Notebook
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MIT License
•3•36•11•0•Updated Nov 30, 2023Nov 30, 2023
molformer
Public
Repository for MolFormer
Jupyter Notebook
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Apache License 2.0
•45•1•0•0•Updated Nov 7, 2023Nov 7, 2023
plotutils
Public
Python
•0•3•3•0•Updated Jul 20, 2023Jul 20, 2023
mofchecker
Public
Basic sanity checks for MOFs.
oms sanity-checks mofs
Python
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MIT License
•4•24•32•0•Updated Jun 17, 2023Jun 17, 2023