A software package for processing and analyzing chemical trajectories
A code primarily aimed at DNA and RNA coarse-grained simulations
Quantum dynamics of chain-like systems using tensor train formats
OpenGrowth is a program which constructs de novo ligands for proteins.
Direct Simulation Monte Carlo (DSMC) Simulator
Modern library for chemistry file reading and writing
A fast and versatile molecular dynamics program
Growing suite of proteomics simulations for educational purposes
Provides high performance computing power and state of the art tools
Molecular dynamics with aqueous-organic solvent mixtures
Chemical Engineering process simulations program
Monte Carlo Simulations of Asymmetric Exclusion Processes
structural clustering of atomic trajectories based on PIV
A linux distribution for chemists