2AUK / pyRISM Star 16 Code Issues Pull requests 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
xBFreEnergy / xBFreEnergy.github.io Star 1 Code Issues Pull requests Discussions delphi gb ambertools pb mmgbsa mmpbsa bfe gmx-mmpbsa binding-free-energy rism Updated Nov 14, 2023
mangelroman / rism Star 0 Code Issues Pull requests Extracts PAE incipits from RISM online catalog. midi pae humdrum musicscore rism Updated Jan 19, 2021 Python
jc32173 / RISM_grids Star 0 Code Issues Pull requests Load, manipulate and visualise RISM data (from AMBER) solvation amber rism Updated Sep 28, 2023 HTML
rism-digital / rism-online-issues Star 0 Code Issues Pull requests Collected issues for the RISM Online site music musicology research-data libraries-data rism Updated Oct 6, 2022