Molecular dynamics by NMR data analysis
A code primarily aimed at DNA and RNA coarse-grained simulations
Time-dependent simulation of open and closed quantum systems
Interactive Program For Calculating Properties Of Symmetric Functions
Joint Density Functional Theory
Generation of molecular formulas by high-resolution MS and MS/MS data
Print Steam Tables; Plot diagrams and cycles from equations of state
Easy manipulation of sdf molecular data files.
PySCeS is the Python Simulator of Cellular Systems
Large-scale Atomic/Molecular Massively Parallel Simulator
General purpose de novo molecular design software