published Published 14 days ago
oxDNA: coarse-grained simulations of nucleic acids made simple
Python C Cython
published Published 4 months ago
Xponge: A Python package to perform pre- and post-processing of molecular simulations
Python
published Published about 1 year ago
physical_validation: A Python package to assess the physical validity of molecular simulation results
Python
published Published over 1 year ago
buildH: Build hydrogen atoms from united-atom molecular dynamics of lipids and calculate the order parameters
Python
published Published almost 2 years ago
polypy - Analysis Tools for Solid State Molecular Dynamics and Monte Carlo Trajectories
Python
published Published over 2 years ago
MetalWalls: A classical molecular dynamics software dedicated to the simulation of electrochemical systems
Python
published Published over 2 years ago
taurenmd: A command-line interface for analysis of Molecular Dynamics simulations.
Python
published Published almost 3 years ago
pygen-structures: A Python package to generate 3D molecular structures for simulations using the CHARMM forcefield
Python
published Published about 3 years ago
BioSimSpace: An interoperable Python framework for biomolecular simulation
Python Jupyter Notebook
published Published over 3 years ago