Open source chemistry programs

In silico chemical library engine for high-accuracy chemical property prediction. Python library for reading, writing, and converting computational chemistry file formats and generating input files. Simple Molecular Dynamics code for Discovery-Driven approach to real gas properties. ScaffoldGraph is an open-source cheminformatics library, built using RDKit and NetworkX, for the generation and analysis of scaffold networks and scaffold trees.

High-throughput molecular docking with multiple targets and ligands using Vina series engines. Tools For G Numerous chemistry tools depend on this software package. This open-source chemistry tool can read and edit chemical data files. Since it is a collaborative project, the public can search, convert, analyze, or store data to this software system. Open Babel can convert many file formats used in molecular modeling-related areas.

It has a command-line interface , and it is compatible with other popular software. Get Open Babel. Like other chemistry tools for Linux, Gabedit is not a single piece of software. Thus it can perform a variety of tasks related to computational chemistry. From different types of analysis to visual rendering, Gabedit got you covered. Get Gabedit. Jmol is the name of an open-source chemistry tool. It is a 3D image viewer based on Java.

This tool is heavily used in viewing three-dimensional chemical structures. It is not only used in analysis or research. Rather this is a beginner-friendly tool that can be used in teaching at any level. Apart from chemistry, this tool is used in the field of physics, biology, and materials science. Get Jmol. Kalzium is a pretty basic chemistry software for Linux. But it is so useful that every high school student should install it into their machine.

This software package contains all the basic information regarding elements, and there is even a full-fledged periodic table built-in. You will also get a 3D molecule viewer, chemical equation solver, and other useful tools. Get Kalzium. XDrawChem is a two-dimensional visualization software. This open-source chemistry tool can visualize chemical structures and reactions.

You may have known about the popular paid tool, ChemDraw. XDrawChem has almost similar functionalities with no cost at all. It is compatible with numerous file formats. Get XDrawChem. This chemistry tool for Linux is a simulator for building and analyzing molecular dynamics.

It is a very flexible tool that is used in different fields of applied science and engineering. It can simulate the molecular dynamics of millions of particles. For this particular reason, it is highly used in biochemical reactions where there are huge protein and lipid molecules. The developers are trying hard to integrate it with the bioinformatics database.

BKChem is one of the simplest chemistry software available out there. This tool is free and open-source. The original code was written in Python language. It is a two-dimensional molecule editor. But apart from this, it is bloated with many features. Get BKChem. As I said earlier, there is a bunch of Linux chemistry software made by different developers.

Every package is different and has its purpose. For a specific job, you will get many alternative tools. Again some tools are unique in their way. Biological Engineering Design.

Energy, Environment, and Society. Teaching College-Level Science and Engineering. Laboratory Chemistry. Quantum Mechanics I. It has an illustrious history in sharing the MIT tradition of excellence, and it has provided national leadership in chemical education and research throughout the century.

The Department's strong record of achievement is solidly based on its pioneering advances in chemical research, its success in incorporating these advances into teaching and research programs, and its close relationship to government and industry.

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