Translations:Computational chemistry/7/en
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Other tools
- CheMPS2, a "library which contains a spin-adapted implementation of the density matrix renormalization group (DMRG) for ab initio quantum chemistry."
- Libxc, a library used in density-functional models.
- Open3DQSAR, a "tool aimed at pharmacophore exploration by high-throughput chemometric analysis of molecular interaction fields."
- Open Babel, a set of tools to enable one "to search, convert, analyze, or store data from molecular modeling, chemistry, solid-state materials, biochemistry, or related areas."
- PCMSolver, a tool for code development related to the Polarizable Continuum Model. Some applications listed above offer built-in capabilities related to the PCM.
- Spglib, a library for development relating to the symmetry of crystals.