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solvation-structure

Here are 2 public repositories matching this topic...

KurtzmanLab / SSTMap

Solvation Structure and Thermodynamic Mapping

thermodynamics solvation solvation-structure

Updated Mar 27, 2024
Python

2AUK / pyRISM

Implementation of the Reference Interaction-Site Model (RISM) equation

rust chemistry computational-chemistry rust-lang scientific-computing computational-science solvation-structure liquids rism ornstein-zernike molecular-liquids atomic-liquids xrism drism

Updated Jul 22, 2024
Rust

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