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: 2018-09-29 00:26


!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: 2017-11-23 04:16


刺身プロジェクト ホスト トランス プロテオーム パイプライン (TPP)、基づく量産仕様 (MS、MS/MS) のためのツールの成熟したスイート プロテオミクス: 統計的検証、定量、視覚化、および私たちのオープン mzXML 形式に raw の MS データからコンバーター。

(Machine Translation)
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: 2007-09-26 00:09


!RasTop は蛋白質、核酸、人気 Rasmol ソフトウェアに基づいて小分子の可視化分子グラフィック プログラムです。プログラムは、急速な可視化と分子の解析を目指しています。

(Machine Translation)
LastUpdate: 2011-03-25 07:06



LastUpdate: 2017-07-11 03:53


Gabeditは、Gamess-US, Gaussian, Molcas, Molpro, MPQC, Mopac2007, Orca, PC Gamess, そして Q-Chemといった計算化学パッケージのためのグラフィカルユーザーインターフェイスです。

LastUpdate: 2004-11-02 17:10


Cactus is a general, modular, parallel environment for solving systems of partial differential

equations. The code has been developed over many years by a large international collaboration of numerical relativity and computational science research groups and can be used to provide a portable platform for solving any system of partial differential equations.

LastUpdate: 2003-06-21 12:20


Cyberbrau is a Web-based program to help the
homebrewer. It allows for very simple and
intuitive beer, cider, and mead recipe creation,
and it automatically calculates all the pertinent
information based on the selected ingredients and
schedule. In addition to the recipes, it allows
multiple brewers to privately track their own
batches, emailing them on racking, bottling, and
lagering dates. Finally, it has a 'taster's
review' section which allows those who try your
brew to rate and comment on the batch. This
information goes into the overall recipe ranking.

(Machine Translation)
LastUpdate: 2009-07-10 17:19

Open Babel

Open Babel is a community-driven scientific project including both cross-platform programs and a developer library designed to support molecular modeling, chemistry, and many related areas, including interconversion of file formats and data.

LastUpdate: 2010-01-07 15:32


BKChem is a chemical drawing program.

LastUpdate: 2013-08-25 16:57


Freesteam is a library that allows you to
calculate water and steam properties using the
industry-standard IAPWS-IF97 steam tables. It is a
library of C++ classes which can be integrated
into your code. Plug-ins to allow freesteam to be
integrated with spreadsheets and other
applications are under development. The included
unit tests assure compliance with published
property values. IAPWS-95 (scientific use)
correlations are also included and used as part of
this validation.

(Machine Translation)
LastUpdate: 2007-09-24 07:46


Ghemical is a molecular modelling software package with some nice 3D visualization tools. It supports methods based on both molecular mechanics and quantum mechanics (using MOPAC7, and MPQC for QM). The geometry optimization (for MM and QM) and molecular dynamics (for MM) algorithms are included. Ghemical is written in C++, and hopefully offers a good framework for a generic freeware molecular modelling tool.