Search Results for "molecules"
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3 programs for "molecules" with 2 filters applied:
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For minor company expenses, you might utilize a spend management solution or track everything in spreadsheets. For everything more, you'll need Precoro. We help companies achieve procurement excellence and budget efficiency by building transparent, predictable, automated spending workflows.
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Exact Payments delivers easy-to-integrate embedded payment solutions enabling you to rapidly onboard merchants, instantly activate a variety of payment methods and accelerate your revenue — delivering an end-to-end payment processing platform for SaaS businesses.
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piv_clustering
structural clustering of atomic trajectories based on PIV
This program allows to perform a structural cluster analysis of atomic trajectories obtained, e.g., from molecular dynamics simulations. At variance with other approaches, it is possible to analyse also processes in solution, e.g., chemical reactions in liquid water, since the distance metric is based on a Permutation Invariant Vector (PIV) that is symmetric under exchange of identical atoms or molecules, including on the same footing both solute and solvent degrees of freedom. The approach... -
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QMcBeaver is an object-oriented program to perform Quantum Monte Carlo calculations on atoms and molecules. It is designed to be easy to modify, allowing new ideas to be quickly implemented.
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Mito-MAS-m is a simulator of the mitochondrial inner membrane and the enzymatic complexes embedded in it, implementing a coarse-grained (CG) model of the molecules using rigid structures and Dissipative Particules Dynamics (DPD) as motion equation.
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