Quantitative, Fast Grid-Based Fields Calculations in 2D and 3D - Residence Time Distributions, Velocity Grids, Eulerian Cell Projections etc.
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Mar 31, 2023 - Python
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Quantitative, Fast Grid-Based Fields Calculations in 2D and 3D - Residence Time Distributions, Velocity Grids, Eulerian Cell Projections etc.
Residence Time Distribution modeling in Python.
A collection of Jupyter notebooks and tools for analyzing water behavior and protein-ligand interactions from molecular dynamics (MD) simulations. Includes scripts for water residence time, density mapping, contact analysis, and visualization using MDAnalysis.
TCPAT2 is a tool for analysing temporal concentration profiles, such as those used in river tracing.
APP - DTR in Chemical Engineering
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