lukaswittmann / moist Star 13 Code Issues Pull requests The Modular and Open-source Implicit Solvation Toolkit (MOIST) cavity solvation rism implicit-solvation solvation-model solvation-free-energy reference-interaction-site-model continuum-solvation Updated Jun 8, 2026 Fortran
grimme-lab / flexisol Star 12 Code Issues Pull requests Flexible solvation benchmark and analysis tool for evaluating (implicit) solvation models on the large and conformationally flexible molecules. benchmark implicit solvation conformers tautomers implicit-solvation solvation-model Updated Apr 2, 2026 Python