published Published about 3 years ago
Xponge: A Python package to perform pre- and post-processing of molecular simulations
Python
@Xia-Yijie
published Published almost 4 years ago
physical_validation: A Python package to assess the physical validity of molecular simulation results
Python
@ptmerz
published Published about 4 years ago
buildH: Build hydrogen atoms from united-atom molecular dynamics of lipids and calculate the order parameters
Python
@patrickfuchs
published Published almost 5 years ago
polypy - Analysis Tools for Solid State Molecular Dynamics and Monte Carlo Trajectories
Python
@symmy596
published Published about 5 years ago
MetalWalls: A classical molecular dynamics software dedicated to the simulation of electrochemical systems
Python
@salanne
published Published over 5 years ago
taurenmd: A command-line interface for analysis of Molecular Dynamics simulations.
Python
@joaomcteixeira
published Published about 6 years ago
BioSimSpace: An interoperable Python framework for biomolecular simulation
Python Jupyter Notebook
@lohedges
published Published about 6 years ago
CSaransh : Software Suite to Study Molecular Dynamics Simulations of Collision Cascades
C++ Python JavaScript
@haptork
published Published about 7 years ago
idpflex: Analysis of Intrinsically Disordered Proteins by Comparing Simulations to Small Angle Scattering Experiments
Python Jupyter Notebook
@jmborr
published Published over 7 years ago
@pdebuyl
