/tools/DRACO
DRACO
grimme-lab/DRACO
17 stars2 forksFortranAdded February 8, 2026
summary
DRACO is an open-source framework that enhances solvation models by dynamically adjusting atomic radii based on precomputed charges and coordination numbers. It is compatible with various quantum chemistry programs, allowing for improved solute cavity performance in molecular simulations.
description
Dynamic Radii Adjustment for COntinuum Solvation
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