Welcome to NetSci's
Alphabetical List of
Computational Chemistry Software
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[ A, B, C ] --
[ D, E, F ] --
[ G, H, I ] --
[ J, K, L ]
[ M, N, O ] --
[ P, Q, R ] --
[ S, T, U ] --
[ V, W ] --
[ X, Y, Z ]
--- A, B, C ---
Abalone
ALOGPS
AAT - Analysis and Annotation Tool
ABI PRISM
AbM
ABSEN
ABSORB
Absorption Package SSRL
AcaClone
Accord
ACD/MS Manager
ACD/NMR Manager
ACD/UV-IR Manager
AceDB
ACES II
Acorn NMR
ADAPT
ADESH
ADVASP
AGCT
AiO
ALCHEMY-II
Alchemy-III
AlleleID
Alscript
Amas
AMBER
AMMP
AMPAC
AMPAC 4.0 with GUI
Amps
AMSOL
ADF (Amsterdam DFT)
Anaconda
Antheprot
ANSIG
AOMIX
Apex-3D
Argus
ARITVE
Array Designer
ArraySCOUT
Artemis
The Art of Science
ASP
Assp
Asterias
Atomistix ToolKit
AutoAssembler
AutoDock
AutoNom
AURELIA
Axes
Axum
AZARA
Babel File Conversion
Beacon Designer
Benchmark
BIOCARTA
BioCyc
Bio Image
BioinformiX
BioLIMS
BioMer
BioMerge
BioModel
BioPad
Biopend
BIOPROP
BioRainbow Analysis Tools
bioSCOUT
Biotools
BioTracker
BioVenn
BlazeLIMS
BlockSearch
Bosque
BOSS
BRAGI
BREADTH
BUNYIP
C2*XGEN
CACAO
CAChe
CACTVS
CADPAC
CALACO
CAMELEON
Camel Jockey
CAMEO
CARA (Computer Aided Resonance Assignment)
Ca.R.Ine
Cascade
CASTEP and CETEP
Catalyst
Catalyst for
CombiChem
CAVEAT
CAVITY
CCP4
CCP14
Cell Illustrator
Cerius2/Biopolymer
- C2*Protein Active Site Viewer
- C2*Receptor
Cerius2/CADD
- C2*Alignment
- C2*Analog Builder
- C2*CAVEAT
- C2*DBAccess
- C2*Diversity
- C2*FieldFit
- C2*GA
- C2*Ludi
- C2*MFA
- C2*QSAR+
CHAIN
CHARMm
Chem3D
Chemistry 4D Draw
ChemCLIPART
ChemCraft
ChemDIAGRAM
ChemDraw
chemEXHIBIT
Chemexper
ChemFileBrowser
ChemFinder Pro
ChemIntosh and ChemWindow
Chemkey
ChemOffice
ChemPen and ChemPen3D
ChemProtect
ChemProtein
ChemPlus
chemSAVER
Chemscape Chime
chemSCENES
ChemSpread
ChemSymphony
ChemTK
ChemTK Lite
chemVision
ChemWeb
ChemWindow
Chiron
CIARA: Chemical Information And
Reaction Assistant
Chmoogle Chemistry Search Engine
Chromatool
Clann
Class-VP
CLC Free Workbench
CLIP
CLiDE
COBRA
CODESSA
Cognia Molecular
COLUMBUS
Composer
Concord
CONFLEX">
CONGEN
Consensus
Constrictor
CONVERT
CORINA
COSMOtherm
Creator
CrossGraphs
CrystalDesigner
CrystalDiffract
CrystalMaker
Crystallographica
Cyrstal Studio
CSEARCH
CSD
CSECM
CURVES
CVIS
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--- D, E, F ---
Dalton
DARC
DataMontage
Datasqueeze
DayMenus
DeCipher
DeFT
DelPhi
DEREK for Windows
Design-Ease
Design-Expert
Desmond
DGEOM
DIFRAC
Discover
DISCON
DISCUS
DIVA
DMax Chemistry Assistant (QSAR)
DMol
DNADynamo
DNA Sequence Analysis
DNASIS
DNPTrapper
DOCK
Dockingserver
DRAGON
DRAWCRYS
DRXWin
DS
DTREG model builder
Dynama
EasyFit
ECEPP
ECHIP Design of Experiments
EduChem HS
eHiTS
EROS (Elaboration of Reactions
for Organic Synthesis)
Electrochemical Simulation
Package
Equiv
Escher
ETH Crystallography
EuGene and SAm
Explorer EyeChem
ExPASy
Expression
Fantom
FermWorks
Felix
FGENEH
Flex
FlexCryst
FLIMSY
Fortner Visualization Suite
FRODO
FRODO/Tom
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--- G, H, I ---
GAIA
GAMESS
Gaussian-94
GEMM
GenBase
GeneCards
Genchek
Gene Construction
Kit
GeneInform
GeneHound
Gene Inspector
GeneJockey
GeneLinker
GeneMark
GeneParser
GeneScan
GENESEQ
GeneSifter
GeneSolve
GeneStudio Pro
Genetool
GeneWorks
Genie
GENLANG
GenMAPP
GenomeBrowser
GenoPedigree
Genotyper
Genowhiz
GenSearch
Geomview
GERM
getpdb
GIFA
Glide
GLIMMER
GMMX
gNMR
GoCore
GOLD
gOpenMol
GRADSCF
Grail
GrailEXP6
GRID
GROMACS
GROMOS
HADDOCK - Docking using NMR data
HASL
HaveItAll NMR
Hingefind
HINT
hmo10
Homology
HONDO
Hückel Calculator
HyperChem
HyperNMR
ICON8 and FORTICON8
Iditis
IDT's Biotools
Impact
IMSL Libraries
Insight
Insight II/Biopolymer
InsightT
- Biopolymer
- DelPhi
- Modeler
Insight II/CADD
- Affinity
- Converter
- DBAccess
- Ludi
- Ludi/ACD
INTERCHEM
IRIS Explorer
IRMA
IR Mentor Pro
ISIS (Integrated
Scientific Information System)
ISYS
ItemTracker
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--- J, K, L ---
Jaguar
JAligner
JAVA-Based Molecular Editor
JChem
JSpecView
KEGG
KGNMOL
KnowItAll
KoriBlast
LABMaestro
LabManager C/S LIMS
LabSoft LIMS
LabView
LABWORKS
LAMMPS
Lasergene
Latticepatch
LeoAnalyst
LeoCalculator
LeoCrystal
LHASA (Logic and Heuristics
Applied to Synthetic Analysis)
Liaison
LimsLink
LION Target Engine
LiqCryst
Look
Ludi
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--- M, N, O ---
MACCS-II
(Molecular ACCess
System)
MacFormula
MacImdad
MacroModel
MacSPARTAN
MacVector
Marvin Applets
Marvin
Mathcad
Mathematica
MCSS/Hook
MD-Display
MDScope
Merlin
MESSKit
MestRe-C
MetaCore
Meteor
MF Calc
Midas Plus
MINITAB
MM2 and MM3
mmCIF
MODELLER
MOIL-View
Mol2Mol
MOLCAS
MolDraw
MOLDY
MOLDYN
Molecular Images
Molecular Modeling Pro
Molecular Modeling Toolkit
MOE (Molecular Operating Environment)
Molecular Surface Package
Molecules-3D
MOLGEN
MOLPRO
MOLSCAT
MOMEC
MOPAC
MOPAC 2000
MORASS
MORATE
MORGAN
MOTECC
MPA/MPG
MPSRCH
MS
MSEQ
Mulliken
MULTAN88
Multifactor Dimensionality Reduction (MDR)
MultiSimplex
MZEF
NAB
namd
NAMOT
NAOMI
nbp
Nemesis
NeoBio
Net Primer
NEWHELIX
NMRchitect
NMR*Compass
NMR*Pipe
NMR Refine
NMR SpecManager
NMR Structure Determination
NOESYSIM
O
OMIGA
Onto-Express
Open Molecule
ORBVis
Origin
ORTEP
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--- P, Q, R ---
PackMol
PADRE
PALLAS
PAP
PathArt
PathwayStudio (Formerly PathwayAssist)
Pathways Analysis
Pathway Tools
PatternHunter
PCModel
PCPDFWIN
PCSIWIN
PC Spartan
PDM93
PDM97
PeakPro C/S
PEAKS
PepSeq
Peptool
Pestode
Perch
PhyloPat
pKa Predictor
Plasmid
PlotData
pmd
Polar
POLYRATE
PoPMuSiC
PowderCell
PowerChrom
PPNN
PractiCalc
PRECLAV
PrestoPlot
Primer Express
PRIMER PREMIER 5
ProCheck
ProChemist
PROCRUSTES
Prode Calculator
Profiles-3D
Project Leader
Project Library
Prospect Pro
Protein Advisor
Protein Networker
ProteinSolve
ProWorks
PS
PS-GVB
PSI-88
Q-Chem
Qik Prop
QMol
QSite
QUANTA
QUANTA/Biopolymer
Quac Pac
- Modeler
- Protein Design
- Protein Health
QuanteMM
Quest
QuickPDB
Raptor
RAsMol
RASSE
RASTER3D
RDP
REACCS
(Reaction ACCess
System)
React
Reaction Patterns
Relibase
ResNet
Renex
Re_View
RGBG Analyzer
Ribbons
The Rosetta Resolver System
RPAC
RS3 Discovery
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--- S, T, U ---
SAm
Sample Master
SAMPLS
Santorini
SARvision
SCARECROW
SciAn
SciMetrics
SciPredict
MDL SCREEN
Sculpt
SEA
SEAL
SECS (Simulation and Evaluation
of Chemical Synthesis)
Selectivity
SEQtools
Sequence Navigator
Sequence Software for Mass Spec
SeqVerter
SGD
SgInfo
Shake-and-Bake
SIBFA
SIgMA
The Sigma Suite
The SigmaXL
SIGNALSCAN
SILAB LIMS System
SimGlycan
SimVector
SingleCrystal
SIR92
SIRPOW92
SMILES Toolkit
SMOG: The Structural
MOlecular Generation
SolMis (Solubility/Miscibility)
Solltech
SOPMA
SPARTAN
SpectraHeap
Sprout
SQL*LIMS
SRS
SSBM
Starfruit
Stat-Ease
STATISTICA
StatView
STEM (The Short Time-series Expression Miner)
STRAP
STRUVIR
SwaN-MR
SYBYL
SYBYL/3DB UNITY
SYSTAT
SymbMath
SYNLIB (SYNthesis
LIBrary)
Target
TESS
Testream
Thor
TINKER
Titan
TOPKAT
TOPOS
Atomistix Toolkit (Formerly Transiesta)
TRIAD (TRIcyclics for Automated Design)
Tsar
TurboBlast
Turbochrom Client/Server
Turbomole
3D-PSSM
UCSD MMS
UniChem
UNIMOL
UGENE
UniPro DPview
USURFA
UVSS Virtual Screening Tool
UXNMR
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--- V, W ---
Vamp
VCharge
Vconf
Vamp
Vcharge
Vector Xpression
Vector NTI
VEGA
Vfilter
VIBE
Viewmol
Visual Cloning 2000
Visual LabPro
Visualize
VisualMath for Java
VlifeMDS [Molecular Design Suite]
VMD
VOID
VoxBlast
Vrms
WellAware
WHAT IF
WinLIMS
WINMGM
WinPDB
The Wisconsin Package
Return to the top of the listing
--- X, Y, Z ---
X-LIGAND
X-AUTOFIT
X-BUILD
X-PLOR
X-Solvate
Xtal
Xtaldraw
XtalView
Yak
ZINDO
ZMM-MVM
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