5 results found Sort:

marrink-lab
polyply_1.0 marrink-lab
24
127
apache-2.0
5
Generate input parameters and coordinates for atomistic and coarse-grained simulations of polymers, ssDNA, and carbohydrates
md dna martini polymers carbohydrates hacktoberfest macromolecules coarse-graining atomistic-simulations
Created 2020-04-05
1,339 commits to master branch, last one 2 months ago
GfellerLab
SuperCell GfellerLab
11
71
gpl-3.0
5
Coarse-graining of large single-cell RNA-seq data into metacells
r-package scrna-seq-data coarse-graining scrna-seq-analysis
Created 2020-06-23
236 commits to master branch, last one 5 months ago
kyonofx
mlcgmd kyonofx
9
67
mit
2
[TMLR 2023] Simulate time-integrated coarse-grained MD with multi-scale graph neural networks
coarse-graining molecular-dynamics graph-neural-networks coarse-grained-molecular-dynamics
Created 2022-06-29
10 commits to main branch, last one about a year ago
ricalessandri
Martini3-small-molecules ricalessandri
11
55
apache-2.0
3
Martini 3 small-molecule database
database martini3 coarse-graining small-molecules molecular-dynamics
Created 2021-07-18
48 commits to main branch, last one 4 months ago
GMPavanLab
Swarm-CG GMPavanLab
12
44
mit
7
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
gromacs cg-model swarm-cg bonded-terms optimization coarse-grained coarse-graining bonded-parameters molecular-dynamics molecular-modeling optimization-tools
Created 2020-06-09
111 commits to develop branch, last one 3 years ago