Software and Numerical Tools for the Discriminating Monte Carlo Practitioner

Please note: I do not necessarily recommend or endorse the use of the products listed here. They may just be resources I've heard about or that have been brought to my attention by their developers.

• Adaptive Simulated Annealing Codes from Lester Ingber.
• BOSS is a "totally boss" Monte Carlo simulation suite.
• CCP5 - Computer Simulation of Condensed Phases Software Library. CCP5 is a collaborative computational project for computer simulation of condensed phases. It's CHOCK FULL of good stuff! Here you can find all the source code from Allen and Tildesley's Computer Simulations of Liquids.
• Crystal Ball - Decisioneering's Monte Carlo simulation add-in for Microsoft Excel spreadsheets. Commercial software that lets you create, run and analyze stochastic spreadsheet models.
• FORTRAN 90 for the FORTRAN 77 Programmer.
• HYPERCHEM is a molecular modeling program which includes Metropolis Monte Carlo and Langevin dynamics algorithms.
• MACROMODEL is a force field-based molecular modeling program with molecular dynamics, stochastic dynamics and Monte Carlo conformational generation algorithms built in.
• Netlib Repository of Mathematical Software at UTK/ORNL
• NIST Guide to Available Mathematical Software.
• Numerical Recipes Home Page.
• Random Number Generators can be found on this page by Skip Carter.
• SPARTAN is a molecular modeling program which includes Monte Carlo and GA algorithms for conformational searching.
• XMakeMol is a GNU-licensed molecular graphics code. It is like a souped-up version of U of Minnesota's old XMol 1.3.1, butwith distributed source code and extra features like animated GIFs. Happiness...
• XTOYS - Source code for simulation programs which run under XWindows (notably, xising and xpotts).