Pinned Repositories
AMBER99SB-UCB
ATRANET
Automated-Transition-Networks_v.Beta
Charmm36m_Azobenzene-FF
Charmm36m forcefield with an extention for Azobenzene
Charmm36mW-FF
The new optimised Charmm36mW force field model.
DRIDmetric
Python class to calculate the firs three moments of the Distribution of Reciprocal Interatomic Distances (DRID) for a given Molecular Dynamics trajectory. This can be used as structure preserving dimensionality reduction method for subsequent clustering.
freeEnergyCalculation
Python project to calculate the free energy landscape from a Transition Matrix. Primarily developed to get the free energy landscape explored during a Molecular Dynmaics Simulation.
Oligomerization-State_and_Contact-Map
TICAgg
TransMEP
Transfer learning for Mutation Effect Prediction
Computational Biochemistry Group 's Repositories
strodel-group/TransMEP
Transfer learning for Mutation Effect Prediction
strodel-group/ATRANET
strodel-group/Oligomerization-State_and_Contact-Map
strodel-group/AMBER99SB-UCB
strodel-group/Automated-Transition-Networks_v.Beta
strodel-group/Charmm36mW-FF
The new optimised Charmm36mW force field model.
strodel-group/Charmm36m_Azobenzene-FF
Charmm36m forcefield with an extention for Azobenzene
strodel-group/DRIDmetric
Python class to calculate the firs three moments of the Distribution of Reciprocal Interatomic Distances (DRID) for a given Molecular Dynamics trajectory. This can be used as structure preserving dimensionality reduction method for subsequent clustering.
strodel-group/freeEnergyCalculation
Python project to calculate the free energy landscape from a Transition Matrix. Primarily developed to get the free energy landscape explored during a Molecular Dynmaics Simulation.
strodel-group/TICAgg