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In the News..

11-12-2007

Amsterdam Density Functional Package

ADF 2007 software package performs electronic structure calculations using Density Functional Theory (DFT).

New Features

  • Geometry optimizations and TDDFT enhancements for periodic structures in BAND
  • GUI enhancements: remote job control, export movies, more visualization options, surface builder
  • Improved geometry optimization, transition state search, and SCF convergence
  • Vibrational Circular Dichroism spectra
  • MO6 xc energy functionals
  • Parallel Windows desktop version
  • Spin-orbit coupled gradients
The Tommi Melon

Molegro Data Mining Software


Overview


Molegro Data Modeller is a cross-platform application for Data Mining, Data Modelling, and Data Visualization.

The spreadsheet centered user interface makes Molegro Data Modeller a simple and affordable alternative to complex workflow based solutions or command-driven statistical products.

Features at a glance:

  • Regression: Multiple Linear Regression, Support Vector Machines, and Neural Networks.
  • Feature selection and cross-validation is simple to set up and use (using built-in wizards)
  • Principal Component Analysis (PCA).
  • Visualization: Histograms, 2D scatter plots, and 3D plots.
  • Clustering: K-means clustering and density-based clustering.
  • Built-in algebraic data transformation tool.
  • Outlier Detection.
  • Sophisticated subset creation: create diverse subsets by sampling from n-dimensional grids.
  • Cross-platform: Windows, Linux, and Mac OS X is supported.




Product Sheet download by clicking here