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ML_StarterKit_CHE596
ML_StarterKit_CHE596 PublicEnd-to-end ML workflow based on the talk I gave in CHE596.
Jupyter Notebook 11
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hachmannlab/chemml
hachmannlab/chemml PublicChemML is a machine learning and informatics program suite for the chemical and materials sciences.
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elp-car9-md-soft-matter-2026
elp-car9-md-soft-matter-2026 PublicMolecular dynamics workflow and analysis of ELP-Car9 variants controlling micelle-vesicle transitions
Roff
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tiwarylab/af2rave
tiwarylab/af2rave PublicBoltzmann-ranked alternative protein conformations from reduced-MSA AlphaFold2
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