vmullig

Ph.D., University of Toronto (Biochemistry), B.Sc., University of Toronto (Biochemistry sp./Physics maj.)

Flatiron InstituteNew York, NY

Pinned Repositories

quantum_rosetta_private
Playing with quantum computing algorithms for protein and peptide design and structure prediction, with interfaces for the Rosetta software suite. (Repository created by Vikram K. Mulligan, vmulligan@flatironinstitute.org).
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demos
Demos of many Rosetta applications
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rosetta
The Rosetta Bio-macromolecule modeling package.
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rosetta_scripts_scripts
This is the repository where all developers writing protocols in XML should place all of their scripts
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software-citation-station
A website for making citing software used in your research quick and easy
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ensemble_metrics
A set of tools for analyzing a collection of heteropolymer structures
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misc_quantum
Playing with quantum computing
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ndm1_design_scripts
Scripts used for Mulligan et al. (2020): Computationally-designed peptide macrocycle inhibitors of New Delhi metallo-beta-lactamase 1
Language:Python15 2 15
qpacker_benchmark_analysis_scripts
Analysis scripts for the QPacker benchmarks (2022)
Language:Python2 1 00
qt_sandbox
Small tests related to learning to make apps with GUIs
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vmullig/ndm1_design_scripts
Scripts used for Mulligan et al. (2020): Computationally-designed peptide macrocycle inhibitors of New Delhi metallo-beta-lactamase 1
Language:Python15 2 15
vmullig/qpacker_benchmark_analysis_scripts
Analysis scripts for the QPacker benchmarks (2022)
Language:Python2 1 00
vmullig/ensemble_metrics
A set of tools for analyzing a collection of heteropolymer structures
Language:C++0 1 00
vmullig/misc_quantum
Playing with quantum computing
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vmullig/qt_sandbox
Small tests related to learning to make apps with GUIs
Language:QMake0 2 00