Laboratory for AI for Materials

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16 repositories

chem-bench
Public
How good are LLMs at chemistry?
benchmark machine-learning chemistry safety materials-science llm llms llms-benchmarking
Jupyter Notebook
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MIT License
•6•54•51•1•Updated Nov 23, 2024Nov 23, 2024
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
•0•12•14•1•Updated Nov 23, 2024Nov 23, 2024
spectra-app
Public
Python
•0•0•0•0•Updated Nov 22, 2024Nov 22, 2024
toolminutes
Public
JavaScript
•7•6•2•0•Updated Nov 20, 2024Nov 20, 2024
matextract-book
Public
Jupyter Notebook
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MIT License
•1•25•24•8•Updated Nov 11, 2024Nov 11, 2024
chembench-paper
Public
HTML
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MIT License
•1•19•6•1•Updated Nov 1, 2024Nov 1, 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•25•13•2•Updated Oct 27, 2024Oct 27, 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
•4•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
chem-caption
Public
Python
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MIT License
•0•2•23•4•Updated Mar 24, 2024Mar 24, 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•32•11•0•Updated Nov 30, 2023Nov 30, 2023
molformer
Public
Repository for MolFormer
Jupyter Notebook
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Apache License 2.0
•43•1•0•0•Updated Nov 7, 2023Nov 7, 2023
plotutils
Public
Python
•0•3•3•0•Updated Jul 20, 2023Jul 20, 2023