Pinned Repositories
apples2apples
Code to compare dynamics between members of protein families
bayesian_optimization
A simple method to detect sequences that optimize a fitness
bondflow
The tool calculates H-bonds and Salt-bridges as they change across a reaction coordinate
Comparison-of-AMPAR-and-NMDAR-dynamics-
discern
This tool discriminates between trajectories given their labels
functional_sampling_tool
Helsinki-Project
A repository and a wiki for work in Helsinki
hpc-python
Python in High Performance Computing
OPLS-MD
OPLS for MD simulations FMA
pathfinder
A tool for adiabatic pulling along a reaction coordinate
molecularmachinist's Repositories
molecularmachinist/apples2apples
Code to compare dynamics between members of protein families
molecularmachinist/bondflow
The tool calculates H-bonds and Salt-bridges as they change across a reaction coordinate
molecularmachinist/functional_sampling_tool
molecularmachinist/OPLS-MD
OPLS for MD simulations FMA
molecularmachinist/pathfinder
A tool for adiabatic pulling along a reaction coordinate
molecularmachinist/bayesian_optimization
A simple method to detect sequences that optimize a fitness
molecularmachinist/Comparison-of-AMPAR-and-NMDAR-dynamics-
molecularmachinist/discern
This tool discriminates between trajectories given their labels
molecularmachinist/Helsinki-Project
A repository and a wiki for work in Helsinki
molecularmachinist/hpc-python
Python in High Performance Computing
molecularmachinist/somethingwithflow