Pinned Repositories
BUMPy
conan
Analysis of contacts in molecular dynamics trajectories
curved-diffusion
Tools to calculate MSD on meshed surfaces from molecular dynamics
DiffusionGLS
Estimate the self-diffusion coefficient of a trajectory with a Generalized Least Squares (GLS) optimization procedure.
dummy_project
Not much
git-workflow
Basic Git Concepts and Workflow
gitim
Generalized Identification of Truly Interfacial Molecules
GMRES
A c++ implementation of the GMRES method for approximating the solution to a linear system.
gromacs
Public/backup repository of the gromacs molecular simulation toolkit
MD_anisotropy
Anisotropic diffusion tensor in Molecular Dynamics
balazsfabian's Repositories
balazsfabian/curved-diffusion
Tools to calculate MSD on meshed surfaces from molecular dynamics
balazsfabian/MD_anisotropy
Anisotropic diffusion tensor in Molecular Dynamics
balazsfabian/git-workflow
Basic Git Concepts and Workflow
balazsfabian/BUMPy
balazsfabian/conan
Analysis of contacts in molecular dynamics trajectories
balazsfabian/DiffusionGLS
Estimate the self-diffusion coefficient of a trajectory with a Generalized Least Squares (GLS) optimization procedure.
balazsfabian/dummy_project
Not much
balazsfabian/gitim
Generalized Identification of Truly Interfacial Molecules
balazsfabian/GMRES
A c++ implementation of the GMRES method for approximating the solution to a linear system.
balazsfabian/gromacs
Public/backup repository of the gromacs molecular simulation toolkit
balazsfabian/maestrowf
A tool to easily orchestrate general computational workflows both locally and on supercomputers
balazsfabian/pytim
balazsfabian/vermouth-martinize
Describe and apply transformation on molecular structures and topologies
balazsfabian/VTP_source_code
An implementation of our paper: Fast and Exact Discrete Geodesic Computation Based on Triangle-Oriented Wavefront Propagation