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Mamba is a package manager for scientific and data science workflows that implements a high-performance dependency solver in C++. It uses a SAT-based resolution model and a specialized library for metadata processing to calculate compatible package versions across different operating systems. The project provides a standalone executable runtime, allowing the creation of isolated package environments without requiring a pre-existing system installation. It ensures reproducible environment setup by utilizing lock files to pin exact package versions and channels. The system supports containeriz

This project is a parallel simulation engine and molecular dynamics simulator designed to model the physical movements of atoms and molecules. It functions as an interatomic potential framework for calculating forces between particles and a materials analysis tool for computing thermodynamic, structural, and transport properties of solids and fluids. The engine is distinguished by its high-performance computing capabilities, utilizing spatial-domain decomposition and message-passing interface communication to distribute workloads across processors. It supports multi-backend GPU acceleration v