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    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
      •
      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
      •
      MIT License
      •0•2•7•0•Updated Nov 22, 2025Nov 22, 2025

    • PolyStabilis

      Public
      Jupyter Notebook
      •
      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-learningpolymer-informaticsphysics-informed-featurizationcurated-tg-dataset
      Python
      •
      MIT License
      •6•38•0•0•Updated Nov 17, 2025Nov 17, 2025

    • promptstore

      Public
      promptprompt-toolkitllm
      Python
      •
      MIT License
      •0•5•1•1•Updated Nov 15, 2025Nov 15, 2025

    • LamaBlueprint

      Public
      Template for all LamaLab GitHub repositories.
      Python
      •
      MIT License
      •172•0•0•0•Updated Nov 10, 2025Nov 10, 2025

    • PolyBind

      Public
      API for getting embeddings for different polymer identifiers
      embeddingsself-supervised-learningcontrastive-learningmulti-modal-representations
      Python
      •
      MIT License
      •0•5•0•0•Updated Nov 7, 2025Nov 7, 2025

    • photocat-hte

      Public
      Python
      •
      MIT License
      •1•2•8•0•Updated Nov 6, 2025Nov 6, 2025

    • chembench

      Public
      How good are LLMs at chemistry?
      benchmarkmachine-learningchemistrysafetymaterials-sciencellmllmsllms-benchmarking
      Python
      •
      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
      •
      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
      benchmarkmaterialschemistryvlmllmvllmmutlimodal
      Python
      •
      MIT License
      •1•22•8•4•Updated Oct 1, 2025Oct 1, 2025

    • secs-app

      Public
      The app to run SECS.
      Python
      •
      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
      •
      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
      •
      Other
      •3•0•0•0•Updated Aug 19, 2025Aug 19, 2025

    • chem-env

      Public
      Python
      •
      Apache License 2.0
      •2•1•0•1•Updated Aug 13, 2025Aug 13, 2025

    • chem-caption

      Public
      Python
      •
      MIT License
      •1•4•20•0•Updated Aug 7, 2025Aug 7, 2025

    • chempile

      Public
      ChemPile project
      Python
      •
      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
      •
      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
      •
      MIT License
      •54•0•0•0•Updated May 11, 2025May 11, 2025

    • irt-on-bench

      Public
      Systematic analysis of benchmark results
      Python
      •
      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.
      pythonmachine-learninghacktoberfestactive-learningparetomultiobjective
      Python
      •
      Apache License 2.0
      •6•41•16•9•Updated Mar 20, 2025Mar 20, 2025