ISB Lab Software and Resources

Check out software developed by our group and other open-source freebies at ISB Lab GitHub.


IDRs in complexes

Disobind

A deep-learning method to predict inter-protein contact maps and interface residues for an intrinsically disordered region (IDR) and a partner protein from their sequences

GitHub


Cryo-electron tomography

PickET

An unsupervised method for localizing macromolecules in cryo-electron tomograms.

GitHub


Integrative structural modeling

Wall-EASAL

A benchmark of hetero-dimeric complexes, with component atomic structures and chemical crosslinks used to compare integrative modeling methods: Wall-EASAL and IMP.

GitHub Wall-EASAL

NestOR

A Python module to perform Nested sampling-based optimization of representation for integrative structural modeling.

GitHub

PrISM

A package for visualizing regions of high and low precision in ensembles of integrative models.

Now used by wwPDB to validate integrative models!

GitHub

StOP

A gradient-free, parallel, global, stochastic, multi-objective optimization algorithm primarily written to optimize the Markov Chain Monte Carlo (MCMC) sampling parameters for the Integrative Modeling Platform (IMP).

GitHub Tutorial 1 Tutorial 2

Sampcon

Pipeline for analyzing integrative models after Markov Chain Monte Carlo (MCMC) sampling. Includes tests for assessing sampling exhaustiveness, clustering models, and calculating precision.

GitHub


Courses and Workshops

Integrative Modeling Tutorials and Workshops


Graduate Courses at NCBS