FHI-aims

ShelXle is a graphical user interface (GUI) for the crystal structure determination program ShelXL,  (more)which is part of the ShelX software package for solving and refining crystal structures using X-ray diffraction data. ShelXle is designed to make it easier to use ShelXL, by providing a user-friendly interface for inputting and editing data, running calculations, and visualizing results. ShelXle is available for Windows, Linux, and macOS, and it can be downloaded from the ShelX website. It is commonly used in the fields of chemistry, materials science, and mineralogy, and it is particularly useful for solving and refining structures of small molecules and inorganic compounds. In addition to ShelXL and ShelXle, the ShelX software package includes a number of other programs for tasks such as generating input files, analyzing data, and visualizing structures. Operating system: Windows, Linux, macOS License: GNU Lesser General Public License

Operating system: Linux, Windows, macOS License: LGPL

FHI-aims (Fritz Haber Institute ab initio molecular simulations) is a software tool for performing q (more)uantum mechanical calculations and simulations of materials and molecules. It is developed by the software company Fritz Haber Institute (FHI) and is used in a variety of applications, including chemistry, physics, and materials science. FHI-aims includes a range of features for calculating and analyzing the properties of materials and molecules, such as tools for predicting the electronic structure, bonding, and reactivity of systems. It is used to study the physical and chemical properties of materials and to design new materials and molecules. FHI-aims is available for Windows, macOS, and Linux operating systems. It is often used in conjunction with other software tools, such as data analysis software and visualization software. Operating system: Linux License: Academic / Commercial

SMS (Surface-Water Modeling System) is a software tool for modeling and simulation of surface water  (more)systems. It is developed by the software company Environmental Modeling & Software (EM&S) and is used in a variety of applications, including hydrology, water resources management, and environmental engineering. SMS includes a range of features for creating and analyzing models, including tools for building graphical models, running simulations, and analyzing results. It is used to study the behavior of surface water systems, such as rivers, streams, and lakes, and to predict the impacts of natural and human activities on water resources. SMS is available for Windows operating systems. It is often used in conjunction with other software tools, such as data analysis software and visualization software. Operating system: Microsoft Windows License: Proprietary

ChemDraw is a software tool that is used for creating and editing chemical structures and reactions. (more) It is a powerful and flexible tool that is widely used in a variety of industries and applications, including chemistry, biology, and pharmaceuticals. ChemDraw includes a range of features for creating and editing chemical structures, including tools for drawing and manipulating molecules, tools for creating and editing chemical reactions, and a library of chemical symbols and structures. It is designed to be easy to use and user-friendly, and it includes a variety of interactive features that allow users to explore and understand chemical concepts in a hands-on way. ChemDraw is widely used in education and research, and it is often used in conjunction with other chemical and scientific software tools. It is a valuable tool for students, educators, and researchers who are interested in exploring and understanding chemical concepts and structures. Operating system: macOS, Microsoft Windows License: Proprietary

Operating system: Cross-platform License: EPL