Topic: "free-energy-surface"
sbhakat/Plotting-MD-Metadynamics
Jupyter Notebook showing how to plot FES, histograms and time-series data using Matplotlib.
Language: Jupyter Notebook - Size: 1.1 MB - Last synced at: almost 2 years ago - Pushed at: over 4 years ago - Stars: 8 - Forks: 2
charlesdavid/JEDi
JEDi: Java Essential Dynamics Inspector
Language: Java - Size: 80.2 MB - Last synced at: about 1 year ago - Pushed at: over 3 years ago - Stars: 5 - Forks: 0
SalapakaLab-SIMBioSys/Non-Equilibrium-Toolbox
Toolkit for quantifying errors in non-equilibrium data
Language: Python - Size: 6.35 MB - Last synced at: about 2 months ago - Pushed at: almost 3 years ago - Stars: 2 - Forks: 0
danieljsharpe/metadynamics
C++ implementation of metadynamics simulation on a potential energy surface
Language: C++ - Size: 69.3 KB - Last synced at: about 2 years ago - Pushed at: over 6 years ago - Stars: 1 - Forks: 0
