#Molecular-dynamics-simulation
Showing 7 of 7 repositories tagged #molecular-dynamics-simulation, ranked by stars
brucefan1983
GPUMD
Graphics Processing Units Molecular Dynamics
Score
0
★ 807
⑂ 194
+4/day
Cuda
RadonPy
RadonPy
RadonPy is a Python library to automate physical property calculations for polymer informatics.
Score
100
★ 269
⑂ 52
—
Python
ci-lab-cz
streamd
Fully automated high-throughput MD pipeline
Score
100
★ 100
⑂ 21
—
Python
John-Kazan
OpenMMScripts
This repository provides scripts for running NPT MD simulations using OpenMM, specifically designed for use on the PHX cluster.
Score
0
★ 97
⑂ 0
—
Python
andeplane
atomify
Real time molecular dynamics in the browser using LAMMPS
Score
67
★ 74
⑂ 10
—
C++
Becksteinlab
propkatraj
pKa estimates for proteins using an ensemble approach
Score
33
★ 31
⑂ 8
—
Python
amepproject
amep
Python data analysis package for active and soft matter simulations
Score
0
★ 25
⑂ 7
—
Python