Featured

Computational Chemist

Software

Relevance Popularity Rating

Mathematica

4,518

Wolfram Research

Mathematica is the tool of choice across the technical world for everything from simple calculations to large...

large-scale computations, programming ...numeric and symbolic computational engine, graphics

Avogadro

free

505

Marcus D. Hanwell, Geoff Hutchison and Tim Vandermeersch

Avogadro is a scientific application for creating and visualizing chemical molecules and compounds...

Avogadro is a scientific application for creating and visualizing chemical molecules and compounds

LiveCode University

149

Livecode

LiveCode University is a comprehensive course application...

the basic principals of computational thinking and build up

WolfCalc

Petur Ingi Egilsson

WolfCalc is a light minimal front end to the powerful Wolfram|Alpha™ Computational Knowledge Engine™...

the powerful Wolfram|Alpha™ Computational Knowledge Engine™

Maestro Elements

free

Schrödinger, LLC.

Maestro...

computational analyses designed for medicinal chemists...modelers and chemists

Folding@home

edu.stanford

Folding@Home... What does Folding@Home do? Folding@Home is a distributed computing project...

is a distributed computing project which...large scale distributed computing

Epos

University of Jena

EPoS is a modular software framework for phylogenetic analysis and visualization. Existing phylogenetic...

Algorithmic packages that provide computational methods for a specific problem

JMP Pro 12

SAS Institute

JMP Pro is the advanced analytics version of JMP, created for power users who need sophisticated modeling...

uplift models, and advanced computational statistics

Caedium

free

symscape

Caedium (formerly SymLab) and its add-ons combine to form an easy-to-use Computational...

an easy-to-use Computational Fluid Dynamics (CFD)

iPhi

Bastian Rössler

iPhi is a powerful yet simple interface to the Wolfram|Alpha Computational Knowledge...

to the Wolfram|Alpha Computational Knowledge Engine

gdis

free

Sean Fleming

gdis is a scientific visualization program for the display...

job submission tools for computational chemistry packages

DataMelt

free

jWork.org

DataMelt, or DMelt, is an environment for numeric computation, data analysis and data visualization. DMelt is designed...

analyses and math computations. The program can...DMelt is a computational platform: It can

Kojo

free

Lalit Pant

It is a Learning Environment – with many different features that enable play...

the areas of: - Computer Programming and Computational thinking

CVSim

free

PhysioNet

CVSim is a lumped...

implemented in Java, with computational components in C

Force Field Explorer

free

Michael Schnieders

Force Field Explorer is a graphical user interface to the TINKER...

create a robust environment for computational chemistry and molecular engineering

PHENIX home

free

Paul Adams, Randy Read, Jane & Dave Richardson, Tom Terwilliger

Phenix is a package...

from Molprobity, and the Computational Crystallography Toolbox in a Python

Energy3D

free

The Concord Consortium

Energy3D is a computer-aided engineering tool for designing...

Energy3D is a computer-aided engineering...location. Based on computational physics, Energy3D can

DataTank

Visual Data Tools, Inc.

DataTank offers a dataflow environment with objects that represent data and objects...

the data, about 2,000 computational actions

Modellus

free

Pedro Duque Vieira

Modellus is used to introduce computational modeling for allowing...

is used to introduce computational modeling for allowing

Kronos-Haskell

free

Andrew Gibiansky

Kronos Haskell is an interactive computational Haskell environment bundled as a convenient Mac App...

Haskell is an interactive computational Haskell

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