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MarvinSketch 23.16.0

MarvinSketch allows users to quickly draw molecules through basic functions on the GUI and advanced functionalities such as sprout drawing, customizable shortcuts, abbreviated groups, default and user-defined templates and context-sensitive popup menus. The software contains a rich feature set that includes many editing tools as well as support for bond and ...

ACD/ChemSketch 2021.2.2

... structures; and as well as access to the chemistry Web search engines PubChem, eMolecules, and ChemSpider. ...
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ChemtoolBox 1.1.0

... precious help in various fields such as organic chemistry (properties of solvents, miscibility and polarity, cooling mixtures), solution chemistry (acid/base and RedOx couples, colored indicators, complexes, salts, fluorochroms), spectroscopy (IR, 1H and 13C NMR data), biochemistry (amino acids, nitrogen bases, carbohydrates, fatty acids, ...

ExafsArchitect 1.1.2

... systematically varying the coordinates of ligands relevant to Chemistry and biology, to easily calculate and evaluate structural effects in EXAFS/XAS and XES spectra using FEFF and/or ORCA. ...

FlexPDE Student 510s

ALL-IN-ONE MULTI-PHYSICS FINITE ELEMENT MODELING Ever wish there was a flexible system for solving all the partial differential equation problems that come up in science and engineering, so you didn't have to buy and learn a new software tool for each problem? Well, now your wish has come true. FlexPDE is ...

VEGA ZZ 3.2.3.28

VEGA ZZ is a complete molecular modelling suite that includes several features to make your research jobs very easy. This software is FREE for non-profit academic uses. Extreme OpenGL implementation for an incredible real-time rendering quality: lighting (4 customizable light sources + ambient light), alpha blending, hardware anti-aliasing, material management, ...

RasMol 2.7.5

RasMol is a program for molecular graphics visualisation originally developed by Roger Sayle. This site is provided for the convenience of users of RasMol and developers of open source versions of RasMol. The site itself is provided courtesy of Bernstein + Sons. Maintenance of RasMol, much of the development, and integration ...
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Avogadro 1.2.0

... molecular editor designed for cross-platform use in computational chemistry, molecular modeling, bioinformatics, materials science and related areas. ... works across platforms and is used in computational chemistry, molecular modeling, bio informatics, material science and other related areas. The aim has been to make 3D molecular manipulation as easy as possible and ...

Chemistry Development Kit 1.5.6 Dev

Chemistry Development Kit is now developed by more than ... and their NMR spectra are based on the Chemistry Development Kit (CDK). ...

QPeriodicTable for Mac OS X 0.60g

... important tool when it comes to solving any chemistry problem is the Periodic Table, that orders and classifies each of the elements depending on its properties and characteristics. If you are looking for a Periodic Table for your PC, one of the best options available is, without any doubt, ...
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COCO 3.9.0.0

COCO, developed by AmsterCHEM, is a sophisticated and versatile process simulation software designed to cater to the needs of chemical engineers and researchers. This open-source platform stands out for its comprehensive suite of tools that facilitate the modeling, simulation, and optimization of chemical processes. At its core, COCO offers a ...

Jmol for Linux 14.31.53

... variety of file types and output from quantum chemistry programs, and animation of multi-frame files and computed normal modes from quantum programs. FEATURES: · The JmolApplet is a web browser applet that can be integrated into web pages. It is ideal for development of web-based courseware and web-accessible ...
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NetLogo 7.0.2
Update

... a wide array of topics, including biology, physics, chemistry, and social science, providing a rich repository of examples that illustrate the potential applications of agent-based modeling. NetLogo is also equipped with a robust set of tools for data analysis and visualization. Users can generate plots, histograms, and other graphical ...

Chemical Data 2.9

Chemical Engineering/General Data app provides information on over 4000 chemical compounds from various chemical groups. The information can be saved as a file(txt) and also shared i.e. via email etc. The App is simply laid out for easy use/access to the information by dropdown list. The app also has a Web ...

OpenBabelGUI 2.4.1

... convert, analyze, or store data from molecular modeling, chemistry, biochemistry, or related areas Features: Ready-to-use ... other methods Supports molecular modeling, cheminformatics, bioinformatics Organic chemistry, inorganic chemistry, solid-state materials, nuclear chemistry ...
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Toxtree 3.1.0

Toxtree is a full-featured and flexible user-friendly open source application, which is able to estimate toxic hazard by applying a decision tree approach. Toxtree could be applied to datasets from various compatible file types. User-defined molecular structures are also supported - they could be entered by SMILES, or by using ...

QPeriodicTable 0.60g

... important tool when it comes to solving any chemistry problem is the Periodic Table, that orders and classifies each of the elements depending on its properties and characteristics. If you are looking for a Periodic Table for your PC, one of the best options available is, without any doubt, ...
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Gabedit for Linux 2.5.1

Gabedit is a graphical user interface to computational chemistry packages like Gamess-US, Gaussian, Molcas, Molpro, MPQC, OpenMopac, Orca, PCGamess and Q-Chem It can display a variety of calculation results including support for most major molecular file formats. The advanced "Molecule Builder" allows to rapidly sketch in molecules and examine ...

EquPixy 3.0

For the set of chemical elements (Ba, Sr, Ca and so on) there is a function enabling to print capital and small letters without switching by "Shift" and "Caps Lock" keys. Figures specifying the number of atoms in chemical formula (H2SO4) are automatically made subscripts, and atom's oxidation figures and ion ...

Toxtree Portable 3.1.0

Toxtree is a full-featured and flexible user-friendly open source application, which is able to estimate toxic hazard by applying a decision tree approach. Toxtree could be applied to datasets from various compatible file types. User-defined molecular structures are also supported - they could be entered by SMILES, or by using ...

Gabedit 2.5.1

Gabedit is a graphical user interface to computational chemistry packages like Gamess-US, Gaussian, Molcas, Molpro, MPQC, OpenMopac, Orca, PCGamess and Q-Chem It can display a variety of calculation results including support for most major molecular file formats. The advanced "Molecule Builder" allows to rapidly sketch in molecules and examine ...

Jmol 14.31.53

... variety of file types and output from quantum chemistry programs, and animation of multi-frame files and computed normal modes from quantum programs. FEATURES: · The JmolApplet is a web browser applet that can be integrated into web pages. It is ideal for development of web-based courseware and web-accessible ...
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Chemistry Add-in for Word 3.3.4

... to easily author documents in the language of chemistry is at the heart of the Chemistry Add-in for Word. Every discipline has its own ... environment characterized by staggering volumes of data. In chemistry, not only is there a specific language, but ... and conventions. By giving these symbols meaning, the Chemistry Add-in for Word is also enabling chemistry documents ...
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SansView 5.0.5

... those in the fields of materials science, physics, chemistry, and biology, where understanding the structure and behavior of materials at the nanoscale is crucial. At its core, SasView offers a comprehensive suite of features that facilitate the analysis and interpretation of SAS data. Its user-friendly interface allows both novice ...

Ascalaph Designer 1.8.94

... can simulate, molecular graphics, optimization, molecular dynamics, quantum chemistry. Features: Molecular graphics Multiple windows ... SPC water model Implicit water model Quantum chemistry with aid of CP2K and PC GAMESS/Firefly Energy Optimization Potential Derived Charges ...

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