Shirts Research Group
- 50 followers
- University of Colorado Boulder
- http://www.colorado.edu/lab/shirtsgroup/
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physical_validation
physical_validation PublicPhysical validation of molecular simulations
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checkensemble
checkensemble PublicThis software allows users to perform statistical test to determine if a given molecular simulation is consistent with the thermodynamic ensemble it is performed in.
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software-physical-validation
software-physical-validation PublicBest Practices article (intended for LiveCoMS) treating simulation software validation and physical validation
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cg_pyrosetta
cg_pyrosetta PublicA python package which enables CG residues in a working version of PyRosetta
Repositories
- ensemble_md Public Forked from wehs7661/ensemble_md
A python package for performing GROMACS simulation ensembles
shirtsgroup/ensemble_md’s past year of commit activity - Lipids_Best_Practices Public
A description of best practices for fitting lipid force fields to experiments
shirtsgroup/Lipids_Best_Practices’s past year of commit activity - solvation_shells Public Forked from schwinns/solvation_shells
Molecular simulations for studying aqueous solvation shells and calculating free energy surfaces along the coordination number
shirtsgroup/solvation_shells’s past year of commit activity - terphenyl_simulations Public
Repository for storing simulation input files and analysis code for terphenyl simulations
shirtsgroup/terphenyl_simulations’s past year of commit activity - polymerist Public Forked from timbernat/polymerist
Polymer-Oriented LibrarY of Monomer-Expression Rules and In-silico Synthesis Tools
shirtsgroup/polymerist’s past year of commit activity - MT-REXEE Public Forked from ajfriedman22/MT-REXEE
A shared space to access information related to Multiple Topology Replica Exchange of Expanded Ensemble
shirtsgroup/MT-REXEE’s past year of commit activity
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