- 3D Structure Generation
- Corina(MN)
ChemFrontier -
- 3D-QSAR
- GERM
- GOLPE
- GRID
- HASL
- hint!
- Quasar
-
- ADMET Prediction
- ADMEWORKS
Amedis - Camitro
- iDEA
- OraSpotter
- PK-Map
PK-Sim - Simulations Plus
-
- Bioinformatics
- ANTHEPROT
- Artemis
- BioTools
- CE 3
CombAlign - Darwin
- Eddy's Lab Tools
- Expression
- GeneMine
- GeneLinker
- ICM-Bioinformatics
- LOOPP
- Orpheus
- Pred/Phrap/Consed
- PROTARCH
- Phylogeny List
- Pipeline Pilot
- PISCES
- Protana
- Sanger Centre
- Setter
- STAMP
- ToPLign
-
- Biopolymer Tools
- DOMPLOT
- HBPLUS
- LigPlot
- naccess
- NUCPLOT
- PROCHECK
- PROCOMP
- SCWRL
- SURFNET
TOPOFIT - X-SITE
-
- Cavity Search
- PASS
-
- Code
Applied Statistics Algorithms - GAMS
- HotGAMS
- Numerical Algorithms Group
- StatCodes
-
- Compound Warehousing
- C@ROL
ChemAxon - JChemBase
- workaccelerator
-
- Computational Chemistry
- ADF
- AMPAC
- AMSOL
Basis Set Exchange - DivCon
- DYNAMO (QM/MM)
- DYNAMO (NMR)
- ECEPPAK
- Gaussian
- GAMESS
- Harmony
- LocalSCF
- MCCE
- MolPro
MOPAC - MOPAC with MOZYME
- NWChem
- OpenMol
ParaSurf - PQS
- Q-Chem
- QCPE
Quantum
Turbo-Frodo
VASP/VAMP
WebMO
YASARA -
- Conformer Generation
Balloon
CONFLEX
Conformer - OMEGA
- OMICRON
- ROTATE
Xedex
|
- Data Analysis/Modeling
- Analyze/StripMiner
- CoPlot
- DataFit
DMax Chemistry Assistant - DynaFit
Equbits - Fitter
- Feature Trees
- FEMLAB
- FlexPDE
- IGOR Pro
- Kinetica
- Minitab
- Mathematica
- MLAB
- MAPLE
- MATLAB
- Miner3D
- Neural Network Add-Ins for Excel
- NLREG
- NONMEM
- Origin
- PK Solutions
- PLS_Toolbox
- PopKinetics
- PSI-Plot & ProStat
- Research Systems
- SAAM II
- Scientist
- SONNIA
- S-PLUS
- Statistica
STODE
Teranode Design Suite
Unsupervised Forward Selection - Weka
- XploRe
-
- Data Management/Mining
- CHED
ChemFileBrowser - ChemTK
- ChemTree
- Clementine
- DiscoveryCenter
- eLabBook
- Filter
GhostMiner - HelixTree
- LeadScope
- LUCIA
- Metabase
- NuGenesis SDMS
- Pervasive
Personal Chemistry Client
PowerMV
quattro - QCluster
Salford Systems - Recommind
- VIDA
-
- Data Visualization
- MayaVi
- De Novo Design
- BUILDER
- CombiBuild
- CONCERTS
- LigBuilder
- MCDNLG
- MolGrow
- NEWLEAD
- RASSE
- SMoG
- SPROUT
-
- Distributed Computing
- AVAKI
- CSE-Online
Entropia
Models@Home - Platform
- Scientific
- Turboworx
- United Devices
-
- Docking/Scoring
- 3-DPL Map
- Affinity
Autodock - CAVEAT
- CLIX
- Dock
- DockIT
- DockVision
- eHits
- ESCHER NG
- FlexE
FlexX - FlexX-Pharm
FlexX-Scan
FLOG - FRED
- GOLD
- GRAMM
- Hammerhead
- ICM-VLS
- PRO_LEADS
- RosettaDock
- Score
- Situs
- SenSitus
- Slide
- VRDD
- X-Score (scoring only)
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- Drawing and Nomenclature
ChemDraw Net Plugin - ChemInnovation
-
- Electrostatics
- APBS
- DelPhi
- QUACPAC
- ZAP (1, 2)
File Conversion - Babel
CLiDE - CLIFF
Open Babel - SciConvert
Kits/Libraries/Toolboxes
CDK
JOELib
OEChem
OELib/Open Babel
- Link Collections
- EBI Biocatalog
- GAMS
- Mathtools
- NBCR Software
- Netlib
- Network Science List
- NIH CMM List
-
- Literature Management
- JabRef
Librarian
PowerRef -
- MD/MC
- AMBER
- BOSS/MCPRO
- CHARMM
- DL_POLY
CYANA - EGO
GROMACS - IED
- ISIM
MMC - MOIL
- MOIL-View
- NAMD
nMOLDYN - Q
- UHBD
- Metabolism Prediction
- Meta
- MetaSite
- Meteor
-
- Molecular Visualization
- AGM View & Build
AstexViewer - B (formerly Biomer)
BALLview
BioBox
BKChem - ChemSymphony
- CheVi
- Chime Plugin
- Chimera
- Cn3D
- Deep View (Swiss-PDB Viewer)
- Dino
- Flex
- FlexV
- Flo
Friend - Garlic
- gdpc
- Ghemical
- gOpenMol
- GRASP
ICM Browser - Java Mage
- JME Molecular Editor
- JMol
- SDSC MICE
- MidasPlus
- ModView
- Molekel
- MOLMOL
- MolScript
- Moviemol
- O
- PAOLA
- PDB to VRML Converter
- PREPI
- PyMOL
- Qmol
- Rasmol (1, 2, 3, 4)
- Raster3D
- RasTop
- ScienceGL
- SCHAKAL
- Spock
- Turbo Frodo
- VEGA ZZ
- Viewmol
- Viewer
- Visualize
- VMD
- WinMGM2
- XChemEdit/ChemEdit
- XMakemol
- XmMol
- YMol
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Network Visualization
ePath3D
Ospreys
ToPNet
TreeWiz Tulip
Pharmacophore Modeling
FieldTemplater
LigandScout
Pharmacophore-Based Screening
FieldScreen
Pipelining/Workflow InforSense
Pathways/White Carbon
Pipeline Pilot
Taverna
Programming ASP The Fortran Company Fortran Library Java JavaScript
MMTK Perl PHP Python Properties /Parameters Absolv
ADRIANA.code Almond
Aqua Solutions
BIOCUBE BioLoom (ClogP...) Cranium CODESSA EPI Suite CLIP DISCON Dragon HYBOT-PLUS Interactive Analysis
JOELib mitools
Protein Interactions DOT Escher NG HADDOCK ProViz Protein Properties
FIRST / MSU ProFlex
PEAT
pKaTool Stereoisomer Generation
STERGEN
Superposition FieldAlign
FlexS GAMMA LSim MIPSIM ROCS
Synthesis Design
ChIP WODCA
Systems Biology Cell Illustrator
Cytoscape
E-CELL In Silico Cell Ingenuity Pathways Analysis
SimWiz
Systems Biology Workbench Teranode Design Suite ToPNet Tautomer Generation
TAUTOMER Teaching Molecular Conceptor Modern Biopharmaceutics Odyssey Toxicity Prediction Derek MultiCASE PASS (bioactivities) TerraBase |
