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Fast, parallel MD, CUDA Proprietary, free academic use, source code Beckman Institute: NWChem: No No Yes Yes No No Yes No No High-performance computational chemistry software, includes quantum mechanics, molecular dynamics and combined QM-MM methods Free open source, Educational Community License version 2.0 NWChem: Protein Local Optimization ...
Gosu classes can have functions, fields, properties, and inner classes as members. Nominal inheritance and composition via delegation are built into the type system as well as structural typing similar to the Go programming language. Gosu supports several file types: Class (.gs files) Program (.gsp files) Enhancement (*.gsx files) Template ...
GK Software SE is a technology company headquartered in Schöneck/Vogtland. The company specializes in software and services for the operation of large retail company branches. GK employs about 1,258 individuals at fifteen locations worldwide. [1] The name stands for the initials of the two founders of the company, Rainer Gläß and Stephan ...
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Q is a computer software package for molecular dynamics (MD) simulation (current release: Q6). Unlike other MD codes, it has specialized since its conception (Marelius et al. 1998) on three specific types of free energy calculations.
GROMACS has had GPU offload support since Version 4.5, originally limited to Nvidia GPUs. GPU support has been expanded and improved over the years, [ 12 ] and, in Version 2023, GROMACS has CUDA, [ 13 ] OpenCL, and SYCL backends for running on GPUs of AMD, Apple, Intel, and Nvidia, often with great acceleration compared to CPU.
There are generally four classes of software used to support the Six Sigma process improvement protocol: Analysis tools, which are used to perform statistical or process analysis; Program management tools, used to manage and track a corporation's entire Six Sigma program; DMAIC and Lean online project collaboration tools for local and global teams;
GSE Systems was established in 1994 from three simulation companies that came together. They were part of an original heritage from Singer-Link where they were involved in high-intensity simulation applications such as flight simulators.