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Packages1–4 of 4VersionFindingsDescriptionDownloadsWhen
chematic-ff cargo1.0.37clean DREIDING force field atom typing and parameters for chematic — pure-Rust cheminformatics5.1K14h ago
chematic-ewald cargo1.0.37clean Smooth Particle Mesh Ewald (SPME) electrostatics: real-space erfc Coulomb, reciprocal-space FFT, periodic boundary conditions — pure Rust2.0K13h ago
molcrafts-molrs cargo0.15.0clean Molecular simulation toolkit: core data structures, IO, trajectory analysis, force fields, SMILES, and 3D conformer generation (feature-gated modules)7182d ago
linkcell cargo0.3.8clean Periodic linked-cell cutoff pairs and k-nearest neighbour search773d ago