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    27 repositories

    • polyVERSE

      Public
      polyVERSE is a comprehensive repository of informatics-ready datasets curated by the Ramprasad Group.
      Python
      •
      Other
      •6•33•2•2•Updated Apr 14, 2026Apr 14, 2026

    • polyGen

      Public
      Python
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      Other
      •0•2•0•0•Updated Feb 23, 2026Feb 23, 2026

    • OPVPerfPredictor

      Public
      Predict key performance parameters (PCE, Voc, Jsc, FF) of organic solar cells using natural language prompts and fine-tuned TinyLlama-1.1B adapters.
      materials-sciencesolar-cellsorganic-semiconductors
      materials-sciencesolar-cellsorganic-semiconductorsfinetuning-llmstinyllama
      Jupyter Notebook
      •
      Other
      •0•1•0•0•Updated Jan 7, 2026Jan 7, 2026

    • green_solvents

      Public
      Data for green solvents
      Other
      •0•0•0•0•Updated Nov 17, 2025Nov 17, 2025

    • polyBERT

      Public
      Other
      •0•5•0•0•Updated Nov 6, 2025Nov 6, 2025

    • PromptDataExtraction

      Public
      Python module and scripts to run automated data extraction pipelines built using MaterialsBERT, GPT-3.5 and LlaMa 2 models.
      Python
      •
      Other
      •5•31•0•1•Updated Jun 25, 2025Jun 25, 2025

    • PENN_Melt_Viscosity

      Public
      Code example for a Physics Enforced Neural Network for Polymer Melt Viscosity
      Python
      •
      Other
      •2•4•1•0•Updated May 31, 2025May 31, 2025

    • polyVERSE-Structures

      Public
      Other
      •0•0•0•0•Updated Apr 28, 2025Apr 28, 2025

    • enthalpy_ml_paper_code

      Public
      Jupyter notebooks used to run analysis for the enthalpy ml model
      Jupyter Notebook
      •1•2•0•0•Updated Apr 24, 2025Apr 24, 2025

    • Sublimation_enthalpy_model

      Public
      GPR sublimation enthalpy model
      Jupyter Notebook
      •
      Other
      •0•0•0•0•Updated Apr 4, 2025Apr 4, 2025

    • spall_strength_prediction

      Public
      Predict spall strength of metals & alloys using the models trained for the paper "Machine Learning for Predictive Understanding of Spall Strength of Metals and …
      Jupyter Notebook
      •
      Other
      •0•1•0•0•Updated Jan 31, 2025Jan 31, 2025

    • csst_analyzer

      Public
      Python
      •1•1•0•2•Updated Jan 8, 2025Jan 8, 2025

    • polymerNEN

      Public
      Normalizing polymer named entities
      Python
      •
      Other
      •3•6•0•0•Updated Sep 3, 2024Sep 3, 2024

    • canonicalize_psmiles

      Public
      Tool for the canonicalization of Polymer SMILES (P🙂) strings
      Jupyter Notebook
      •
      Other
      •5•32•5•2•Updated Sep 3, 2024Sep 3, 2024

    • bioplastic_design

      Public
      Bioplastic Design using Multitask Deep Neural Networks
      Jupyter Notebook
      •
      Other
      •5•5•0•3•Updated Sep 3, 2024Sep 3, 2024

    • polymer_knowledge_extraction

      Public
      Jupyter Notebook
      •
      Other
      •9•26•0•0•Updated Sep 3, 2024Sep 3, 2024

    • polymer_information_extraction

      Public
      Python
      •
      Other
      •8•25•1•0•Updated Sep 3, 2024Sep 3, 2024

    • copolymer_informatics

      Public
      Code for the paper Copolymer Informatics with Multi-Task Deep Neural Networks
      Jupyter Notebook
      •
      Other
      •6•14•1•0•Updated Sep 3, 2024Sep 3, 2024

    • polymer_in_solvent_solubility_modeling

      Public
      Jupyter Notebook
      •
      Other
      •0•2•0•4•Updated Sep 3, 2024Sep 3, 2024

    • ML-DFT

      Public
      Predict the electronic structure and atomic properties (potential energy, forces, and stress tensor) of polymers containing N and/or O.
      Python
      •
      Other
      •12•24•1•0•Updated Sep 3, 2024Sep 3, 2024

    • pvfsga

      Public
      Python
      •0•7•0•0•Updated Aug 29, 2024Aug 29, 2024

    • PSP

      Public
      PSP is a python toolkit for predicting atomic-level structural models for a range of polymer geometries.
      polymerstructure-predictionvasp-poscar
      polymerstructure-predictionvasp-poscarsmiles-stringslammps-inputoligomerinitial-geometriesautonomous-model-generatoramorphous-modelcrystal-model
      Jupyter Notebook
      •
      MIT License
      •17•47•3•1•Updated Jul 5, 2024Jul 5, 2024

    • PolymerSolarCellsML

      Public
      Code and data for building ML models and testing active learning strategies for polymer solar cells
      Python
      •
      MIT License
      •3•0•0•0•Updated Mar 9, 2024Mar 9, 2024

    • polyga

      Public
      Python
      •
      Other
      •3•11•0•0•Updated Mar 31, 2023Mar 31, 2023

    • ionic_liquids_nn

      Public
      Python
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      Other
      •0•4•0•0•Updated Mar 31, 2023Mar 31, 2023

    • Polymer_informatics_beyond_homopolymers

      Public
      Code for the paper 'Polymer informatics Beyond Homopolymers'.
      Jupyter Notebook
      •
      Other
      •0•7•0•0•Updated Mar 31, 2023Mar 31, 2023

    • LSE

      Public
      LSE = Linker SMILES Extractor. Return the SMILES strings of an input MOF's constituent linkers.
      Python
      •
      Other
      •0•2•1•0•Updated Mar 23, 2023Mar 23, 2023
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