numerical and applied mathematics
molecular modelling and graphics
- The molecular Monte Carlo simulation home page
- Xmol, by Minnesota Supercomputer Center Inc. (MSCI)
- Cherwell Scientific Publishing software for science and research: Mol2Mol, ModelMaker, etc. (alternate link)
- BIOSYM/Molecular Simulations Inc. (MSI)
- CambridgeSoft (ChemDraw, Chem3D, ChemFinder, MOPAC)
- Chemical Computing Group (in disguise of their own electronic journal)
MC and MD simulations
fast Fourier transform, wavelets
- ARC parallel FFT homepage
- Amara’s wavelet page
- a fast FFT library by M.Frigo and S.G.Johnson, MIT
general scientific computing and graphics
- Computer Physics Communications and its program library
- NAG, the numerical algorithms group
- Wolfram Research Inc. (Mathematica)
- MathSoft (MathCad)
- The MathWorks, Inc. (MatLab)
- German Scientific Computing Home Page of the Deutsche Mathematiker-Vereinigung
- NA-Net: Numerical Analysts’ e-mail directory, white pages, and digest
- Mathematics Archives, a long list of links to sites with mathematical software
- freely available software for linear algebra on the web, compiled by Jack Dongarra
Last updated on Wed Nov 19 08:45:54 MET DST 1997