published Published 3 months ago
MLMOD: Machine Learning Methods for Data-Driven Modeling in LAMMPS
Python C++
published Published 4 months ago
Lightshow: a Python package for generating computational x-ray absorption spectroscopy input files
Python Jupyter Notebook
published Published 7 months ago
chombo-discharge: An AMR code for gas discharge simulations in complex geometries
C++ Python Gnuplot
published Published 7 months ago
SPyCi-PDB: A modular command-line interface for back-calculating experimental datatypes of protein structures.
Python
published Published 11 months ago
oxDNA: coarse-grained simulations of nucleic acids made simple
Python C Cython
published Published about 1 year ago