molcrafts-molrs 0.7.0

Molecular simulation toolkit: core data structures, IO, trajectory analysis, force fields, SMILES, and 3D conformer generation (feature-gated modules)
Documentation 
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//! Molecular system representations: atomistic and coarse-grained entities,
//! topology, the [`MolGraph`](molgraph::MolGraph) molecular graph, element
//! data, and CG mapping.

pub mod atomistic;
pub mod coarsegrain;
pub mod element;
pub mod entity_table;
pub mod graph_hash;
pub mod mapping;
pub mod molgraph;
pub mod topology;