Simple Project List 軟體列表

147 projects in result set
最後更新: 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)
最後更新: 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)
最後更新: 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)
最後更新: 2016-12-03 05:56



最後更新: 2017-10-28 12:33



最後更新: 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
目標受眾: Science/Research
自然語言: English, Japanese
操作系統: MacOSX, Windows XP
程式語言: C, C++, Ruby
使用者介面: wxWidgets
Register Date: 2010-01-21 01:18
最後更新: 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)
最後更新: 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)
最後更新: 2018-05-04 23:51

Toxtree: Toxic Hazard Estimation

化学物質の毒性の危険性を推定する GUI アプリケーションです。最新バージョンは、次の毒性予測モジュールを含む:-Cramer のルール (経口毒性) - Verhaar を介してアクションの毒性モード スキーム - 皮膚の炎症や目の炎症の予測 - ベニーニ/ボッサ ルールベースの変異原性および発がん性の予測-開始の生分解性と永続性の予測-皮膚感反応性ドメイン - クルースは TTC デシジョン ツリー - SMARTCyp - Cytochrome P450-Mediated 薬物代謝と代謝予測-in vivo 小核試験の構造警告アッセイの齧歯動物 (ISSMIC) で-構造アラート機能グループ識別 (ISSFUNC)-結合蛋白結合に関連する構造のアラートDNA の結合。-Ames 変異原性 Toxtree を推定への異なるアプローチを組み込むプラグイン フレームワークを提供します。プラットフォームに依存しない (Java で書かれた) 化学開発キットを使って。

(Machine Translation)
最後更新: 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)
最後更新: 2018-12-30 06:35

DWSIM - Open Source Process Simulator


最後更新: 2012-08-29 23:58


GLmol is a 3D molecular viewer based on WebGL and Javascript. You can embed molecular models in Web pages without using Java or plugins.

最後更新: 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.

最後更新: 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)
最後更新: 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.