From Biohack

See computational chemistry, computational biology, computational neuroscience, comp-neuro, etc.

Links

• http://www.abinit.org/
• http://www-drfmc.cea.fr/sp2m/L_Sim/BigDFT/index.html
• http://web.archive.org/web/20070509081345/http://www.cmmp.ucl.ac.uk/~conquest/
• http://www.kjemi.uio.no/software/dalton/dalton.html
• http://www.demon-software.com/public_html/program.html
• http://groups.google.com/group/gamess
• http://www.msg.chem.iastate.edu/gamess/
• http://www.materialsdesign.com/products.htm
• http://www.teokem.lu.se/molcas/features.html
• http://www.molpro.net/
• http://www.t12.lanl.gov/home/mchalla/MondoSCF.html
• http://www.tcm.phy.cam.ac.uk/onetep/
• http://www.openmx-square.org/
• http://www.turbomole.com/index.php?option=com_content&view=category&layout=blog&id=6&Itemid=7
• http://wolf.ifj.edu.pl/phonon/
• http://www.nersc.gov/projects/paratec/
• http://parsec.ices.utexas.edu/
• http://www.cs.wm.edu/~andreas/software/
• http://bohr.inesc-mn.pt/~jlm/pseudo.html
• http://www.psi-k.org/
• http://en.wikipedia.org/wiki/Quantum_chemistry_computer_programs
• http://phy.asu.edu/shumway/codes.html
• http://www.uam.es/departamentos/ciencias/fismateriac/siesta/
• http://www.bandstructure.jp/INTRO/subwhat4.html
• http://cms.mpi.univie.ac.at/vasp/
• http://www.wien2k.at/
• http://www-users.cs.umn.edu/~saad/software/

And:

• http://www.mcc.uiuc.edu/cgi-bin/software/software.pl?mode=show_details&software_id=27
• http://www.mcc.uiuc.edu/cgi-bin/software/software.pl?mode=show_details&software_id=2
• http://www.mcc.uiuc.edu/cgi-bin/software/software.pl?mode=show_details&software_id=8
• http://www.mcc.uiuc.edu/cgi-bin/software/software.pl?mode=show_details&software_id=20
• http://www.mcc.uiuc.edu/cgi-bin/software/software.pl?mode=show_details&software_id=439
• http://www.mcc.uiuc.edu/cgi-bin/software/software.pl?mode=show_details&software_id=403
• https://wiki.asu.edu/pimc/index.php/Main_Page
• http://www.physics.ohio-state.edu/ohmms/
• http://cms.mcc.uiuc.edu/qmcpack/index.php/QMCPACK_Wiki_Home
• http://phy.asu.edu/shumway/codes/geom.html
• http://phy.asu.edu/shumway/codes/getEMA.html
• http://phy.asu.edu/shumway/codes/paths.html
• http://phy.asu.edu/shumway/codes/pi.html
• http://www.mcc.uiuc.edu/cgi-bin/software/software.pl?mode=show_details&software_id=18
• http://www.lassp.cornell.edu/sethna/hysteresis/code/
• http://www.qtp.ufl.edu/Aces2/
• http://www.mcc.uiuc.edu/cgi-bin/software/software.pl?mode=show_details&software_id=438
• http://www.mcc.uiuc.edu/qmc/AtomicHF/
• http://www.mcc.uiuc.edu/cgi-bin/software/software.pl?mode=show_details&software_id=26
• http://www.mcc.uiuc.edu/cgi-bin/software/software.pl?mode=show_details&software_id=461
• http://www.mcc.uiuc.edu/cgi-bin/software/software.pl?mode=show_details&software_id=1
• http://www.fplo.de/
• http://www.mcc.uiuc.edu/cgi-bin/software/software.pl?mode=show_details&software_id=3
• http://olymp.cup.uni-muenchen.de/ak/ebert/SPRKKR/#description
• http://www.mcc.uiuc.edu/cgi-bin/software/software.pl?mode=show_details&software_id=15
• http://www.mcc.uiuc.edu/cgi-bin/software/software.pl?mode=show_details&software_id=28
• http://www.mcc.uiuc.edu/cgi-bin/software/software.pl?mode=show_details&software_id=22
• http://www.mcc.uiuc.edu/cgi-bin/software/software.pl?mode=show_details&software_id=25
• http://www.charmm.org/html/info/developers.html
• http://www.charmm.org/
• http://loto.sourceforge.net/feram/
• http://www.gromacs.org/
• http://lammps.sandia.gov/
• http://www.winterdrache.de/freeware/mds/mdsman.html
• http://bohr.inesc-mn.pt/~jlm/md.html
• http://www.bioinformatics.org/molekel/wiki/
• http://www.cmbi.ru.nl/molden/molden.html
• http://www.openrasmol.org/
• http://www.invisu.ca/e/vuchem.php
• http://www.hpc.unm.edu/~chem/xmol/xmol.html
• http://www.chemaxon.com/
• http://www.chemaxon.com/acpack_conditions.html