csa czjzek extended-czjzek glass-nmr lineshape mat material mq-vas nmr nuclear-shielding pass quadrupole sas simulation spectral-analysis spectrum spinning-sidebands ssnmr st-vas

readstat sas sas7bdat spss stata

cran csv csvy data data-science excel io r rio sas spss stata

python sas sas-osp sas-swat

3D Atomistic simulations Biochemistry Colloidal Self-Assembly Data Structures Mesoscale Modelling and Simulations SAXS Sample atomisitc automation bash biomolecular biomolecular simulation coarse-grain coarse-grained condensed matter equilibration framework free software full atom full-atom git gitlab library molecular aggregates molecular arrangement molecular dynamics molecular modeling molecular structures multiscale multiscale modeling numerical simulation organic molecule physical-chemistry post-processing post-simulation analyses post-simulation analysis python python3 sans sas script self-aggregation self-assembly shape shapes shapespyer simulation simulation-framework smiles notation smiles strings soft matter software development template workflow workflow automation

data import r sas survey survey-data