Pinned Repositories
MolecularNodes
Toolbox for molecular animations in Blender, powered by Geometry Nodes.
charge_params
CodeEntropy
CodeEntropy-POSEIDON for entropy calculation
entropy
Determine conformational entropy using two methods: quasi-harmonic approximation (+ corrections) and free energy perturbation temperature dependence
free_energy
Scripts related to free energy calculations
MolecularNodes
Toolbox for molecular animations in Blender, powered by Geometry Nodes.
ProjectB3
thesis
Python programs and bash scripts related to my Masters thesis in AG Keller at FU Berlin
chabi-fin's Repositories
chabi-fin/charge_params
chabi-fin/free_energy
Scripts related to free energy calculations
chabi-fin/thesis
Python programs and bash scripts related to my Masters thesis in AG Keller at FU Berlin
chabi-fin/CodeEntropy
CodeEntropy-POSEIDON for entropy calculation
chabi-fin/entropy
Determine conformational entropy using two methods: quasi-harmonic approximation (+ corrections) and free energy perturbation temperature dependence
chabi-fin/MolecularNodes
Toolbox for molecular animations in Blender, powered by Geometry Nodes.
chabi-fin/ProjectB3