Chemistry AI Software

All MatDeck products, including MD Free, offer MD Chemistry Software. MatDeck Free can be downloaded with the blue button (Download MatDeck 3.1 Free) next to this text.

MD Chemistry Software can be used for Chemistry R&D applications as well as in production. MatDeck product features can be seen in the Compare Products page.

Some MatDeck Chemistry Software Features

• Chemistry software functions for automatically balancing chemical equations, reactions, atomic structure and more.
• Chemistry Formula Templates.
• Automatically insert constants, units or Periodic Table data.
• Mathematics in Chemistry.
• Connecting to internet chem databases as well as creating new chemistry databases.
• 2D and 3D chemical graphs.
• Chemical modelling.
• Programing Chemistry in Python, C or MatDeck C++ style script.
• Creating a Chemistry GUI or EXE software for Chemical R&D.
• Interfacing to over four hundred electronic devices for chemical control, processes and measurement.
• Controlling chemical reaction
• Data acquisition, control and SCADA for chemical applications.
• Fast data processing.
• Fuel cell cases and other Chemistry examples.

Chemistry Formula Templates in MD Software

Formula Templates are ready-made formulas or pieces of code, functions and GUIs that can be called by users in a few clicks. They offer advanced and repetitive formulae, GUIs and functions to help shorten project time and eradicate human error. Formula Templates need very little editing yet offer perfect results. As with all MatDeck features, Formula Templates can be mixed and combined with other parts of MatDeck such as MD Chemistry Software or MD Curve Fitting Software.

MD Periodic Table Chemistry Software With Copying Table Data

This is no ordinary Periodic Table. By clicking Insert Variable in MatDeck’s Chemistry Software’s Periodic Table, all selected variables from the Periodic Table will be assigned/inserted into your document canvas or code. From there, you can do calculations or programing; saving your time and making your work more accurate. The Periodic Table is available in all MD products including MD Python-Free. See the Interactive Periodic Table

Learn more about MD’s Interactive Periodic Table

Graphical Chemistry Software Tool for Compound Information

The Graphical Chemical Tool is used for various chemical information about compounds, including chemical formula, IUPAC name, common names, molecular formula, molecular image, molecular mass, or SMILES which are obtained from PubChem and MCUL databases. Before the Chemical Tool is obtained within a document, users can specify the names of variables in the appropriate tool.

This example shows how boiling elevation can be calculated. The molecular formula for sucrose is found using a MD Chemistry form. This allows us to find the moles of solute. As we can see above, MatDeck Software mathematical features are used throughout the document with formulas and variables making all maths fast and simple to do. MatDeck allows the user to compute all formulas exponentially faster than other methods while offering numerous chemistry features that save the user time and offers a unique mix of math and chemistry.

Using AI for Chemistry in a MD Document

This Python script employs various libraries for a linear regression analysis on a dataset related to chemical compounds. It begins by defining a small dataset representing three compounds (Ethanol, Methanol, Propanol), each characterized by a name, molecular structure

The dataset is further divided into training and testing sets using the train_test_split function from sklearn. A linear regression model is created and trained on the training data using the LinearRegression class from sklearn.

Subsequently, the trained model is used to make predictions on the test set. However, since we stored the results in a MD variable we can further manipulate and use them with MD features. One of the most commonly utilized and useful MD features is its ability to easily create plots without the need of any code, MD Graphs also enable you to easily customise your plots without the need of any code. We can see how we plotted the MD Graph without any code below.

MatDeck also gives you the option to create your own custom PyTorch or TensorFlow AI model without the need of any code, you just need to select options from a drop down menu and you can have your own custom AI model. In the image below we showcase, the 3 Layer TensorFlow AI Model Generator.

Database Access, Drawing Molecular Structure and Getting Molecular Formula

You can access the most important internet Chemistry databases, such as MCUL and PubChem, directly from a MD document. MD Chemistry Software functions support the following:

• Drawing the molecular structure of a compound using SMILES, or its name as identification.
• Getting the molecular formula of a compound based on SMILES, or its name.
• Getting the molecular mass of a compound based on SMILES, or its name.

Creating a Chemistry Database App

MD products incorporate a range of functions and tools that can be used for straightforward and effective data exchange with Microsoft SQL, MySQL, PostgreSQL and SQLite databases. The user can store and read large MD Software products incorporate a range of functions and tools that can be used for straightforward and effective data exchange with Microsoft SQL, MySQL, PostgreSQL and SQLite databases. The user can store and read large amounts of data, combine this data with GUI elements to create a diverse range of applications and forms; as well as saving the results of the calculations into one of the supported database engines, reading and modifying the stored data and sharing it.

Software for Balancing Chemical Reactions, Creating and Editing Chemical Formulas

MD Chemistry Software Automatic Chemical Equations Balancing

The rate of effusion can be easily calculated as it is inversely proportional to the square root of the molecular weight. Using MatDeck, the molecular weight, chemical formula, IUPAC or SMILES name, as well as any information from the The rate of effusion can be easily calculated as it is inversely proportional to the square root of the molecular weight. Using MatDeck Free’s software, the molecular weight, chemical formula, IUPAC or SMILES name, as well as any information from the periodic table can be found and stored as a variable. This combined with MD functions allows questions like this to be easily solved. In this example, we use the nonlinsolve() function to solve the equation without re-arranging the formula ourselves.

The above example shows a buffer solution being created between acetic acid and sodium acetate. From there we calculate the hydrogen ion concentration using a formula. MD functions and variables allow the formula to be easily calculated with a few lines and no re-arranging or mathematics done by the user.

MD Chemistry Software Constants and Units

The images below show constants and units. MD products have SI and USCS units, as well as all known constants for Chemistry, Physics and other areas. The option to create new constants and units is also quite often used.        

The example below – The molality of the solution is found using MD mathematical features and the variables inputted; we then calculate the boiling elevation in degrees Celsius. Mathematics is often found in Chemistry through formulas; MD functions solve functions seamlessly and save the user time and prevent mistakes.

MatDeck Chemistry Software in Fuel Cell Development and Testing

Where your fuel is not gas, liquid, solid, molten salt or it is just easily storage energetic past MatDeck gives you Whether your fuel is gas, liquid, solid, molten salt , MatDeck’s Software gives you unique opportunity to develop and produce fuel cell.

You can use MatDeck for:

• Fuel cell chemical reaction mechanism, reaction barrier, decomposition
• Fuel cell Chemistry thermodynamics and kinetics (including membrane)
• Fuel cell Modelling
• Chemistry 2D and 3D graphs
• Prototyping you fuel cell
• Testing fuel cell
• Preproduction fuel cell

A key part of a Fuel Cell system is to separate the Hydrogen from water for it to be able to be used. With current technology, this process is expensive and therefore is not a suitable solution. If this process can be achieved in a more economical way, then Fuel Cells are likely to lead the way in sustainable energy.

The example above shows the overall electrochemical reaction inside a fuel cell system. With this information, data such as fuel cell efficiency can be calculated and with that, the price of fuel cell production and creation can be lowered, if we know where the energy is being lost.

MatDeck controls 400+ electronic devices and PC cards. This hardware can be applied for:

• Fuel Cell data acquisition
• Fuel Cell chemical process control
• Fuel Cell load power drivers
• Motor control for Fuel Cells
• Various sensor interfaces
• And numerus other hardware.

These give you the opportunity to control your fuel flow rate; measure temperature, flow, pressure, humidity, PH, fuel rate,  electrode corrosion, conductivity,  membrane conductivity, current, voltage, impedance; gas or liquid ionization, custom fuel spectroscopy, vibration testing, fuel cell load, variables, calculating efficiency, decreasing costs and improving your fuel cells. MatDeck is ideal for fuel cell R&D, prototyping and testing.  It can also be used for fuel cell production. More about compatible electronic devices: Data Acquisition and Virtual Instrumentation. 

Creating Your Own Chemistry Software App

All MD Products, excluding MatDeck Free, allow you to use an unlimited amount of GUI and Widgets to create your own Chemistry App. This can be achieved in either the MD Python GUI Designer or the MD GUI Designer, which utilize different language depending on the user’s preference. Either GUI Designer provides a drag and drop interface which give you a what you see is what you get GUI after it is ran.  Once finished with your Chemistry app, you can Build and Deploy it as a .EXE file meaning that is can be distributed easily and ran independently from any computer.

Using the MatDeck Script means that you can utilize functions from MatDeck’s Chemistry software inside the code of your GUI. This gives you simple but advanced functionality directly in an easy-to-use GUI Designer allowing you to create advanced visually appealing GUIs and Chemistry apps.

Chemistry Examples List

• Chemical example
• Chemical reactions
• Acid base equilibria 1
• Acid base equilibria 2
• Surface tension
• Chemical equation balancing
• Access to Chemical Database – Mcul
• MatDeck: Access to Chemical Databases -Mcul
• Chemistry Plugin – Use Cases
• Graphical Interface for Chemical Information
• Chemical balancing
• Chemical balancing GUI
• Electrolytic reaction
• Periodic table
• Boiling elevation
• Electrochemical reaction inside a fuel cell
• Hydrogen ion concentration
• Oxygen reduction reaction in a fuel cell system
• Rate of effusion
• Electron configurations

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