jQuery UI Tabs - Default functionality
This page provides list of software packages at OSDDlinux important for computer-aided drug design. In OSDDlinux we have divided in categories i) All for all type ofsoftware, ii) Webservers for web services, iii) Galaxy for software integated in Galaxy, iv) GUI for graphics based software, v) Third for software not belongs to Raghava's group
It is a web server has been developed to serve scientific community working in the field of designing inhibitors against Dihydrodipicolinate synthase (DHDPS).
DrugMint
DrugMint is a web server developed for predicting drug-likelihood of a compound.
DMKPred
It is a SVM based webserver for the prediction of binding of chemical molecules with specific kinases.
MetaPred
MetaPred Server predict metabolizing CYP isoform of a drug molecule/substrate, based on SVM models developed using CDK descriptors.
Avogadro
Avogadro is an advanced molecule editor and visualizer designed for cross-platform use in computational chemistry, molecular modeling, bioinformatics, materials science, and related areas. It offers flexible high quality rendering and a powerful plugin architecture.
Babel
Converts between different file formats for computational biology applications.
CDK
The Chemistry Development Kit (CDK) is a scientific, LGPL-ed library for bio- and cheminformatics and computational chemistry written in Java.
Chemtool
Chemtool is a small program for drawing chemical structures on Linux and Unix systems using the GTK toolkit under X11.
Filter-IT
Filter-it calculates the chemical descriptors of chemical molecules
Freediams
It is mainly developed by medical doctors and is intended for use by these same professionals. It can be used alone to prescribe and / or test drug interactions within a prescription. It can be linked to any application thanks to its command line parameters.
Kalzium
Kalzium is your digital replacement for the periodic table on paper. It ss a program that visualizes the Periodic Table of Elements (PSE) and includes basic information about all common elements in the PSE. It has a gained much more functions over time.
Mpqc
MPQC is the Massively Parallel Quantum Chemistry Program. It computes properties of atoms and molecules from first principles using the time independent Schrodinger equation.
PaDEL:
PaDEL is a java based softwer to calculate chemical descriptor.
RAPIDminer
RapidMiner is unquestionably the world-leading open-source system for data mining. It is available as a stand-alone application for data analysis and as a data mining engine for the integration into own products.
Weka
Collection of machine learning algorithms for solving data mining problems implemented in Java and open sourced under the GPL.
Xdrawchem
XDrawChem is a two-dimensional molecule drawing program for Unix operating systems. It is similar in functionality to other molecule drawing programs such as ChemDraw (TM, CambridgeSoft).
It is a web server has been developed to serve scientific community working in the field of designing inhibitors against Dihydrodipicolinate synthase (DHDPS).
MetaPred Server predict metabolizing CYP isoform of a drug molecule/substrate, based on SVM models developed using CDK descriptors.
Name
Description
Kidoq
It is a web server has been developed to serve scientific community working in the field of designing inhibitors against Dihydrodipicolinate synthase (DHDPS).
DrugMint
DrugMint is a web server developed for predicting drug-likelihood of a compound.
DMKPred
It is a SVM based webserver for the prediction of binding of chemical molecules with specific kinases.
MetaPred
MetaPred Server predict metabolizing CYP isoform of a drug molecule/substrate, based on SVM models developed using CDK descriptors.
Name
Description
Kidoq
It is a web server has been developed to serve scientific community working in the field of designing inhibitors against Dihydrodipicolinate synthase (DHDPS).
DrugMint
DrugMint is a web server developed for predicting drug-likelihood of a compound.
DMKPred
It is a SVM based webserver for the prediction of binding of chemical molecules with specific kinases.
MetaPred
MetaPred Server predict metabolizing CYP isoform of a drug molecule/substrate, based on SVM models developed using CDK descriptors.
Software name
Description
Chemtool
Chemtool is a small program for drawing chemical structures on Linux and Unix systems using the GTK toolkit under X11.
Gabedit
Gabedit is a graphical user interface to computational chemistry packages like Gamess-US, Gaussian, Molcas, Molpro, MPQC, OpenMopac, Orca, PCGamess and Q-Chem.
GChemPaint
GChemPaint allows you to draw and display 2D chemical structures.
Kalzium
Kalzium is your digital replacement for the periodic table on paper. It ss a program that visualizes the Periodic Table of Elements (PSE) and includes basic information about all common elements in the PSE. It has a gained much more functions over time.
PaDEL
PaDEL is a java based softwer to calculate chemical descriptor.
RAPIDminer
RapidMiner is unquestionably the world-leading open-source system for data mining. It is available as a stand-alone application for data analysis and as a data mining engine for the integration into own products.
Weka
Collection of machine learning algorithms for solving data mining problems implemented in Java and open sourced under the GPL.
Software name
Description
Avogadro
Avogadro is an advanced molecule editor and visualizer designed for cross-platform use in computational chemistry, molecular modeling, bioinformatics, materials science, and related areas. It offers flexible high quality rendering and a powerful plugin architecture.
Babel
Converts between different file formats for computational biology applications.
CDK
The Chemistry Development Kit (CDK) is a scientific, LGPL-ed library for bio- and cheminformatics and computational chemistry written in Java.
Chemtool
Chemtool is a small program for drawing chemical structures on Linux and Unix systems using the GTK toolkit under X11.
Filter-IT
Filter-it calculates the chemical descriptors of chemical molecules
Freediams
It is mainly developed by medical doctors and is intended for use by these same professionals. It can be used alone to prescribe and / or test drug interactions within a prescription. It can be linked to any application thanks to its command line parameters.
Kalzium
Kalzium is your digital replacement for the periodic table on paper. It ss a program that visualizes the Periodic Table of Elements (PSE) and includes basic information about all common elements in the PSE. It has a gained much more functions over time.
Mpqc
MPQC is the Massively Parallel Quantum Chemistry Program. It computes properties of atoms and molecules from first principles using the time independent Schrodinger equation.
PaDEL
PaDEL is a java based softwer to calculate chemical descriptor.
RAPIDminer
RapidMiner is unquestionably the world-leading open-source system for data mining. It is available as a stand-alone application for data analysis and as a data mining engine for the integration into own products.
Weka
Collection of machine learning algorithms for solving data mining problems implemented in Java and open sourced under the GPL.
Xdrawchem
XDrawChem is a two-dimensional molecule drawing program for Unix operating systems. It is similar in functionality to other molecule drawing programs such as ChemDraw (TM, CambridgeSoft).
