- 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)
|
- 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
|
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
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