Adaptive analysis of amino acid alphabets
Program for molecular graphics
Generation of molecular formulas by high-resolution MS and MS/MS data
Easy manipulation of sdf molecular data files.
Large-scale Atomic/Molecular Massively Parallel Simulator
A simple molecular weight calculator
calculates overlap, kinetic integrals for numerical atomic orbitals.
solves nonlinear Kohn-Sham equation for the neutral atom.
Solves one-electron Schrödinger equation, with SLEPc and PETSc
Simulation of EPR spectra of nitroxide biradicals
PYthon eXtension for Ab Initio Dynamics
Analyze molecular simulation data
A Modular Python Toolbox for Cross-Platform Post-Processing of Quantum
Error Correction Module for Illumina Sequencing Reads
gMol molecular graphics
An application to count bacterial colonies and other circular objects
Polymer simulation utilites