rinikerlab's repositories
Physical_Chemistry_Practicum-Molecular_Dynamics_Simulations
This repository is the used for teaching the Physical Chemistry Practicum about Molecular Dynamics (MD) simulations for pharmacy and biology students at ETHZ
Dynamic_Reweighting_FamilyTree
Supporting Information for the Family Tree of Dynamic Reweighting Algorithms
vsa
VCD Spectra Alignment (VSA)
Language:C++000
RDKit_mETKDG
A docker image containing changes applied to the ETKDG conformer generator workflow, with example scripts.