coarse-graining topic

Generate input parameters and coordinates for atomistic and coarse-grained simulations of polymers, ssDNA, and carbohydrates

marrink-lab

Coarse-graining of large single-cell RNA-seq data into metacells

GfellerLab

Martini 3 small-molecule database

ricalessandri

[TMLR 2023] Simulate time-integrated coarse-grained MD with multi-scale graph neural networks

kyonofx

Swarm-CG: Automatic Parametrization of Bonded Terms in MARTINI-based Coarse-Grained Models of Simple to Complex Molecules via Fuzzy Self-Tuning Particle Swarm Optimization

GMPavanLab

The source of the votca-csg and xtp packages

votca