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...It supports many interaction models, including pair potentials, many-body potentials, reactive force fields, bonded interactions, long-range electrostatics, and user-extendable packages. LAMMPS is script-driven, so users can define simulation geometry, force fields, integration methods, output, and analysis behavior through input files. Its main value is combining broad scientific flexibility with scalable parallel performance for complex molecular and mesoscale simulations.

...It was designed from the ground up for GPU acceleration, with a high-performance C++ and CUDA backend. The software is especially useful for nano-scale, colloidal, polymer, soft matter, and materials simulations. Its Python interface lets users build simulation and analysis workflows using familiar scientific Python tools. HOOMD-blue supports efficient parallel execution and has been used for large-scale GPU-based simulations. Its main value is combining a flexible Python user experience with strong GPU performance for modern particle simulation research.

...The software focuses on particle-level simulation rather than continuum-only descriptions, making it suitable when individual particle contacts and collisions matter. Its main value is giving particulate-flow users an open DEM codebase for building, running, and extending granular simulations.

...It is used to model granular materials, powders, bulk solids, and industrial particle-flow systems. The project originated from the LIGGGHTS ecosystem and has been used in combination with CFDEM coupling workflows for particle-fluid simulations. It helps users study mechanical contact, particle motion, collision behavior, packing, flow, and equipment-scale granular processes. The software is especially relevant for engineering applications where macroscopic behavior emerges from many particle-level interactions. Its main value is providing a DEM simulation engine for researchers and engineers who need detailed particle-scale modeling in open-source workflows.

AutoMap takes a series of poses obtained from molecular docking and applies the site, epitope and conformational mapping techniques to the poses to select likely ligand binding modes.

...The output will be a series of grids with DX format (*.dx) that the user will be able to visualize using any Molecular visualization program like VMD, PyMol, Chimera... For more information on dependencies and usage, please read the Documentation. Users are welcome to post any bug or request under BUGS & REQUESTS menu. (sourceforge account will be needed).