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Simple Project List Software Map

147 projects in result set
LastUpdate: 2004-12-10 18:38

wxEWA for spectrum evaluation

複数のプロシージャ マルチ プラットフォーム電子スペクトル評価プログラム、原子物理学と XPS/UPS 分光のための特別なオプションを持つ。

(Machine Translation)
LastUpdate: 2014-04-28 00:14


Fityk is nonlinear curve-fitting and data analysis software. It allows data visualization, separation of overlapping peaks, and least squares fitting using standard Levenberg-Marquardt algorithm, a genetic algorithm, or Nelder-Mead simplex method. It knows about many functions (mostly bell-shaped, like Gaussian, Loretzian, Pearson 7, Voigt, Pseudo-Voigt, and Doniach-Sunjic) and user-defined functions can be easily added. It also enables background subtracting, data calibration, and task automation with a simple script language. It is mainly used to analyze powder diffraction patterns, chromatography, photoluminescence, infrared, and Raman spectroscopy, but it can be used to fit analytical functions to any kind of data.

(Machine Translation)
LastUpdate: 2016-11-02 01:47


Eclipse Rich Client Platform (RCP)上に構築された、情報計算化学生物のためのオープンソース ワークベンチ。

LastUpdate: 2018-05-15 00:37



LastUpdate: 2011-03-25 07:06



LastUpdate: 2016-12-03 05:56



LastUpdate: 2018-03-22 08:51

Molby - A Molecular Modeling Software

Molby is a software for building molecular models on the graphic screen. It works on Mac OS X and Windows. It can import and export files for other computational chemistry softwares such as GAMESS and Gaussian. It can also edit molecules by script...

Development Status: 4 - Beta
Target Users: Science/Research
Natural Language: English, Japanese
Operating System: MacOSX, Windows XP
Programming Language: C, C++, Ruby
User Interface: wxWidgets
Register Date: 2010-01-21 01:18
LastUpdate: 2011-12-24 16:53


Chemtool is a GTK+-based 2D chemical structure editor for X11. Drawings can be exported in XFig format for further annotation, or as Postscript files (using xfig's companion program transfig). A set of sample molecular structure drawings is included in the archive.

(Machine Translation)
LastUpdate: 2010-12-07 21:51


The Biochemical ALgorithms Library (BALL) is a
framework for rapid application development in
molecular modeling and structural bioinformatics.
BALL provides an extensive set of data structures
as well as classes for molecular mechanics,
advanced solvation methods, comparison and
analysis of protein structures, file
import/export, NMR shift prediction, and
visualization. Its extensibility results from an
object-oriented and generic programming approach.

(Machine Translation)
LastUpdate: 2016-02-27 11:08


!ChemFormatter は、Microsoft Office アドイン プログラムです。!ChemFormatter 化学文書内のフォントのスタイルを自動的に適用されます。

(Machine Translation)
LastUpdate: 2016-04-19 23:51


ケモインフォマティックスや C++ と Python で書かれた機械学習ソフトウェアのコレクションです。コア アルゴリズムとデータ構造は、C++ で書き込まれます。ラッパーは、Python Java からツールキットを使用してに提供されます。さらに、RDKit 分布には分子リレーショナル データベースに格納されているし、下部組織との類似性検索を介して取得することができます [/projects/sfnet_pgsql/ PostgreSQL] ベースのカートリッジが含まれています。

(Machine Translation)
LastUpdate: 2010-05-24 23:20



(Machine Translation)
LastUpdate: 2017-10-28 12:33



LastUpdate: 2004-11-16 12:05


Viewmol is a program for building and editing molecules as well as for the visualization of outputs from quantum chemical and molecular mechanics programs. Currently supported are Gaussian 9x, Gamess, Discover, DMol/DSolid/DMol3, Gulp, Mopac, Turbomole, and PDB files. Properties visualized include geometry (with various drawing modes), vibration (animated or with arrows), optimization history/MD trajectories, MO energy level diagram, MOs, basis functions, and electron density. Drawings can be saved as TIFF, HPGL, Postscript, and input files for Rayshade. Viewmol has an embedded Python interpreter for automation. The program is language independent and currently "speaks" English, French, German, Russian, or Spanish.

(Machine Translation)
LastUpdate: 2002-03-15 07:35


BioJava aims to provide a comprehensive set of Java components for the rapid development of applications in Bioinformatics. It contains interfaces for representing Sequences, Features, and other important bioinformatics concepts. It can also read and write sequence data in a variety of common formats and communicate with Ensembl databases and with DAS and BioCorba servers.