published Published 14 days ago
oxDNA: coarse-grained simulations of nucleic acids made simple
Python C Cython
@lorenzo-rovigatti
published Published 4 months ago
Xponge: A Python package to perform pre- and post-processing of molecular simulations
Python
@Xia-Yijie
published Published about 1 year ago
physical_validation: A Python package to assess the physical validity of molecular simulation results
Python
@ptmerz
published Published over 1 year ago
buildH: Build hydrogen atoms from united-atom molecular dynamics of lipids and calculate the order parameters
Python
@patrickfuchs
published Published almost 2 years ago
polypy - Analysis Tools for Solid State Molecular Dynamics and Monte Carlo Trajectories
Python
@symmy596
published Published over 2 years ago
MetalWalls: A classical molecular dynamics software dedicated to the simulation of electrochemical systems
Python
@salanne
published Published over 2 years ago
taurenmd: A command-line interface for analysis of Molecular Dynamics simulations.
Python
@joaomcteixeira
published Published almost 3 years ago
pygen-structures: A Python package to generate 3D molecular structures for simulations using the CHARMM forcefield
Python
@thesketh
published Published about 3 years ago
BioSimSpace: An interoperable Python framework for biomolecular simulation
Python Jupyter Notebook
@lohedges
published Published over 3 years ago
@haptork
