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1. ML-guided-discovery-and-design-of-non-hemolytic-peptides ML-guided-discovery-and-design-of-non-hemolytic-peptides Public

   Classification models for hemolytic nature and hemolytic activity predictions in peptide/protein sequences

   Jupyter Notebook 16 9

2. BBB-Models BBB-Models Public

   Developed binary ensemble classifiers to predict the Blood-Brain Barrier (BBB) permeability of small organic compounds. Applied our best models to natural products of marine origin, able to inhibit…

   Jupyter Notebook 7 6

3. Deep_Mutational_Scanning Deep_Mutational_Scanning Public

   Deep Mutational Scanning function generates a single-point mutation upon a given sequence with a defined list of amino acids. Heatmap display shows the results from predictive model(s) in a heatmap.

   Python 1

4. GRAMPA_structural_landscape GRAMPA_structural_landscape Public

   Mapping the structural landscape of medium-large peptide datasets

   R 1

5. DanielAldas/Benchmark-PSP DanielAldas/Benchmark-PSP Public

   Scripts to download data from Protein Data Bank and benchmark the results of some protein structure predictors with experimental data.

   Jupyter Notebook

6. Structure-aware-ML-for-AMP-discovery Structure-aware-ML-for-AMP-discovery Public

   Forked from Puga8Ma/Structure-aware-ML-for-AMP-discovery

   Assessing structural landscape, biases and effects upon ML-driven peptide prediction

   Jupyter Notebook 1