noahharrison64

Pinned Repositories

gcncmc-paper
Scripts and files used in: "Enhanced Grand Canonical Sampling of Occluded Water Sites Using Nonequilibrium Candidate Monte Carlo"
Language:Python2 3 10
cluster-toolkit
Cluster Toolkit is an open-source software offered by Google Cloud which makes it easy for customers to deploy AI/ML and HPC environments on Google Cloud.
Language:HCL186 34 76124
caretta
A software-suite to perform multiple protein structure alignment and structure feature extraction.
Language:Python00
pmx
Toolkit for free-energy calculation setup/analysis and biomolecular structure handling
Language:Python00
biosimspace
An interoperable Python framework for biomolecular simulation.
Language:Python71 6 12911
sire
Sire Molecular Simulations Framework
Language:C++39 5 9111

noahharrison64's Repositories

noahharrison64/caretta
A software-suite to perform multiple protein structure alignment and structure feature extraction.
Language:Python00
noahharrison64/pmx
Toolkit for free-energy calculation setup/analysis and biomolecular structure handling
Language:Python00