Computational Biochemistry Group
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- Forschungszentrum Jülich, Germany
- http://www.strodel.info/
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- freeEnergyCalculation Public Forked from MoSchaeffler/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/freeEnergyCalculation’s past year of commit activity - DRIDmetric Public Forked from MoSchaeffler/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/DRIDmetric’s past year of commit activity - AMBER99SB-UCB Public
strodel-group/AMBER99SB-UCB’s past year of commit activity