Pinned Repositories
Cluster-Analysis-for-molecular-systems
This is a program to calculate clusters created by molecules in a molecular dynamic's system
game-hub-mosh
Hydrogen-Bond-interaction-calculations-for-Gromacs-MD-simulations
Program to calculate hydrogen bond interactions in MD simulations in Gromacs 5.x or higher, for any system, independent of the Atomistic Force-filed used.
nestjs-typeorm-restApi
Potential-of-Mean-Force
This is a program a plug-and-play program to create all files needed to calculate Potential of Mean Force in Gromacs (any gromacs version)
regressions
A Python package that implements various regression algorithms, including Partial Least Squares and Principal Components Regression
ananvodo's Repositories
ananvodo/Hydrogen-Bond-interaction-calculations-for-Gromacs-MD-simulations
Program to calculate hydrogen bond interactions in MD simulations in Gromacs 5.x or higher, for any system, independent of the Atomistic Force-filed used.
ananvodo/Potential-of-Mean-Force
This is a program a plug-and-play program to create all files needed to calculate Potential of Mean Force in Gromacs (any gromacs version)
ananvodo/Cluster-Analysis-for-molecular-systems
This is a program to calculate clusters created by molecules in a molecular dynamic's system
ananvodo/game-hub-mosh
ananvodo/nestjs-typeorm-restApi
ananvodo/regressions
A Python package that implements various regression algorithms, including Partial Least Squares and Principal Components Regression