A Python Framework for Integrating Classical and Quantum Mechanical Simulation Data, Experimental Data, and Cheminformatics into a Unified Predictive Engine for Macromolecular Design
python
machine-learning
automation
protein-data-bank
scikit-learn
webscraper
data-visualization
data-analysis
smiles
experimental-data
chemical-descriptors
thermo-physical-descriptors
polymer-db
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Updated
Jun 21, 2022 - Python