Software Packages
Classifying Antimicrobial Peptide Selectivity: A Machine Learning Approach to Balancing Antibacterial Activity and Host Toxicity
- GitHub Repository: https://github.com/Mansbach-Lab/peptide-drug-classifier
Classifying antimicrobial peptides into four activity/toxicity classes (Selective, Pure Hemolytic, Both Active/Toxic, Inactive) based on E. coli MIC and erythrocyte HC50 values, using physicochemical descriptors + SVM.
MUC2 Coarse-Grained Simulations
- GitHub Repository: https://github.com/Mansbach-Lab/muc2_simulations
Coarse-grained molecular dynamics simulations of MUC2 mucin networks at varying resolutions and concentrations, with pore characterization and rheological analysis pipelines.
hVAE Mnist demo
- GitHub Repository: https://github.com/sevenpigeons/hVAE_rs
A Rust port of the original hVAE codebase, for easier integration into web applications. Demo.
deeptimeMSMs
- GitHub Repository: https://github.com/Mansbach-Lab/deeptimeMSMs
- Releases: https://github.com/Mansbach-Lab/deeptimeMSMs/releases/tag/tutorial
A series of tutorials modeled after the PyEmma Tutorials, but utilizing the more modern deeptime package infrastructure.