M. T. Degiacomi, V. Erastova, M. R. Wilson, Easy setup of molecular dynamics simulations of polymeric mixtures with Assemble!, Computer Physics Communications, Volume 202, 2016
a tool to access convergence of MD simulations of surface phenomena (and to print dinosaurs)
Software and the manual are on GitHub
M. T. Degiacomi, S. Tian, H. C. Greenwell, V. Erastova, DynDen: Assessing convergence of molecular dynamics simulations of interfaces, Computer Physics Communications, Volume 269, 2021
Graphene Oxide Builder – a useful visual tool to build graphene oxide, with edges/holes, -C=O, -COOH, -O- and -OH on demand.
First developed by Wu Tongfei
The updated version, with small fixes and functionality, can be downloaded from GitHub