JFRudzinski
Computational scientist at the interface of chemistry, physics and biology. Working on research data infrastructure @FAIRmat-NFDI @nomad-coe
@FAIRmat-NFDIBerlin, Germany
Pinned Repositories
biased-MSM
biased-MSM-2
Coding_Seminar_21-Sept-2016
CWL_example
JFRudzinski.github.io
Models_for_Dynamical_properties_across_different_coarse-grained_models_for_ionic_liquids
msm_tools_mpip
PyEMMA
Python API for Emma's Markov Model Algorithms
PyEMMA-JFR
Scripts_and_models_for_Structural-kinetic-thermodynamic_relationships
This repository contains analysis scripts and simulation input files used in "Structure-kinetic-thermodynamic relationships for peptide secondary structure formation identified from transition network properties" by Joseph F. Rudzinski and Tristan Bereau
JFRudzinski's Repositories
JFRudzinski/biased-MSM
JFRudzinski/biased-MSM-2
JFRudzinski/Coding_Seminar_21-Sept-2016
JFRudzinski/CWL_example
JFRudzinski/JFRudzinski.github.io
JFRudzinski/Models_for_Dynamical_properties_across_different_coarse-grained_models_for_ionic_liquids
JFRudzinski/msm_tools_mpip
JFRudzinski/PyEMMA
Python API for Emma's Markov Model Algorithms
JFRudzinski/PyEMMA-JFR
JFRudzinski/Scripts_and_models_for_Structural-kinetic-thermodynamic_relationships
This repository contains analysis scripts and simulation input files used in "Structure-kinetic-thermodynamic relationships for peptide secondary structure formation identified from transition network properties" by Joseph F. Rudzinski and Tristan Bereau
JFRudzinski/Scripts_and_models_for_The-role-of-conformational-entropy
JFRudzinski/Scripts_for_Automated_detection_of_many-particle_solvation_states
JFRudzinski/Solve_DCA
JFRudzinski/systop_utils
JFRudzinski/test_repo