Ramprasad Group

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28 repositories

PENN_Melt_Viscosity
Public
Code example for a Physics Enforced Neural Network for Polymer Melt Viscosity
Python
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Other
•0•3•0•0•Updated May 31, 2025May 31, 2025
polyVERSE
Public
polyVERSE is a comprehensive repository of informatics-ready datasets curated by the Ramprasad Group.
Python
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Other
•4•19•0•2•Updated May 27, 2025May 27, 2025
PromptDataExtraction
Public
Python module and scripts to run automated data extraction pipelines built using MaterialsBERT, GPT-3.5 and LlaMa 2 models.
Python
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Other
•3•11•0•1•Updated May 7, 2025May 7, 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
•0•2•0•0•Updated Apr 24, 2025Apr 24, 2025
Sublimation_enthalpy_model
Public
GPR sublimation enthalpy model
Jupyter Notebook
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Other
•0•0•0•0•Updated Apr 4, 2025Apr 4, 2025
polygnn
Public
polyGNN is a Python library to automate ML model training for polymer informatics.
data-science machine-learning polymer artificial-intelligence rdkit materials-science materials-informatics data-driven-design graph-neural-network polymer-informatics
Python
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Other
•9•40•0•0•Updated Feb 5, 2025Feb 5, 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 Alloys"
Jupyter Notebook
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Other
•0•1•0•0•Updated Jan 31, 2025Jan 31, 2025
csst_analyzer
Public
Python
•1•0•0•2•Updated Jan 8, 2025Jan 8, 2025
polymerNEN
Public
Normalizing polymer named entities
Python
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Other
•2•6•0•0•Updated Sep 3, 2024Sep 3, 2024
canonicalize_psmiles
Public
Tool for the canonicalization of Polymer SMILES (P🙂) strings
Jupyter Notebook
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Other
•3•24•4•2•Updated Sep 3, 2024Sep 3, 2024
bioplastic_design
Public
Bioplastic Design using Multitask Deep Neural Networks
Jupyter Notebook
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Other
•4•4•0•3•Updated Sep 3, 2024Sep 3, 2024
polymer_knowledge_extraction
Public
Jupyter Notebook
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Other
•7•25•0•0•Updated Sep 3, 2024Sep 3, 2024
psmiles
Public
Fun with P🙂s strings - canonicalize, randomize, dimerize, fingerprint
Jupyter Notebook
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MIT License
•11•33•3•6•Updated Sep 3, 2024Sep 3, 2024
polymer_information_extraction
Public
Python
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Other
•6•23•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
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Other
•5•12•1•0•Updated Sep 3, 2024Sep 3, 2024
sol_polygnn
Public
sol_polyGNN is a Python library to automate ML model training for polymer informatics.
data-science machine-learning polymer artificial-intelligence rdkit materials-science materials-informatics data-driven-design graph-neural-network polymer-informatics
Python
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Other
•0•0•1•0•Updated Sep 3, 2024Sep 3, 2024
polymer_in_solvent_solubility_modeling
Public
Jupyter Notebook
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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
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Other
•10•19•1•0•Updated Sep 3, 2024Sep 3, 2024
multi-task-learning
Public
Python
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Other
•3•17•0•0•Updated Sep 3, 2024Sep 3, 2024
polyBERT
Public
polyBERT: A chemical language model to enable fully machine-driven ultrafast polymer informatics
Python
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Other
•12•55•0•1•Updated Sep 3, 2024Sep 3, 2024
pvfsga
Public
Python
•0•5•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.
polymer structure-prediction vasp-poscar smiles-strings lammps-input oligomer initial-geometries autonomous-model-generator amorphous-model crystal-model
Jupyter Notebook
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MIT License
•14•35•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
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MIT License
•2•0•0•0•Updated Mar 9, 2024Mar 9, 2024
polyga
Public
Python
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Other
•3•12•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
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Other
•0•6•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
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Other
•0•1•1•0•Updated Mar 23, 2023Mar 23, 2023