published Published 26 days ago
ESPResSo++: A Fast and Extensible Molecular Simulation Package for Coarse-Grained Models
Tcl Python C++
@junghans
published Published 4 months ago
SpinVibe: Simulating spin-phonon coupling for molecular qubits
Python Jupyter Notebook
@victorchanglee
@chrisjonesBSU
published Published 7 months ago
scoup: Simulate Codon Sequences with Darwinian Selection Incorporated as an Ornstein-Uhlenbeck Process
R Visual Basic 6.0
@thsadiq
published Published 10 months ago
lammpsio: Transparent and reproducible handling of LAMMPS particle data in Python
Python
@clpetix
published Published 10 months ago
YetAnotherSimulationSuite.jl: An Atomic Simulation Suite in Julia
Python Julia
@Cavenfish
published Published about 1 year ago
asyncmd: A python library to orchestrate complex molecular dynamics simulation campaigns on high performance computing systems
Python
@hejung
published Published over 1 year ago
AniSOAP: Machine Learning Representations for Coarse-grained and Non-spherical Systems
Python Jupyter Notebook Rust
@rosecers
published Published over 1 year ago
fastatomstruct: A High-Performance Library for Structural and Dynamical Analysis of Atomic Systems
Rust Jupyter Notebook Python
@nilsholle
published Published almost 2 years ago
@jpotoff
