JacksonBurns/fastprop
Fast Molecular Property Prediction with mordredcommunity
This project helps chemists and materials scientists rapidly predict chemical and material properties from molecular structures. You input a list of chemical structures (SMILES strings) and the corresponding known properties you want to predict. It generates a trained model capable of predicting these properties for new, uncharacterized molecules, ideal for drug discovery or materials design.
Used by 1 other package. Available on PyPI.
Use this if you need to quickly build a machine learning model to predict properties of molecules based on their chemical structure, using minimal setup and code.
Not ideal if you need highly customized deep learning architectures or require extensive control over feature engineering beyond standard molecular descriptors.
Stars
58
Forks
10
Language
Python
License
MIT
Category
Last pushed
Dec 12, 2025
Commits (30d)
0
Dependencies
11
Reverse dependents
1
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