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5 stars written in Fortran
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Packmol - Initial configurations for molecular dynamics simulations

Fortran 338 58 Updated Jan 27, 2026

PoreBlazer (v4.0) source code, examples, and geometric properties of porous materials calculated for the subset of 12,000 structures from the CSD MOF.

Fortran 54 12 Updated Dec 29, 2023

Cassandra is a Monte Carlo package to conduct atomistic simulations.

Fortran 50 19 Updated Nov 4, 2025

The Surface Assessment via Grid Evaluation (SuAVE) software was developed to account for the effect of curvature in the calculations of structural properties of chemical interfaces regardless of ch…

Fortran 11 1 Updated Jan 22, 2026
Fortran 5 3 Updated Nov 27, 2024