| chematic-core cargo | 1.0.37 | clean | Core types (Atom, Bond, Molecule) for chematic — pure-Rust RDKit alternative, WASM-compatible | 20K | 13h ago |
| chematic-perception cargo | 1.0.37 | clean | SSSR ring perception and Hückel aromaticity for chematic — pure-Rust RDKit alternative | 19K | 13h ago |
| chematic-smiles cargo | 1.0.37 | clean | OpenSMILES parser, writer and canonical SMILES for chematic — pure Rust, WASM-compatible | 18K | 13h ago |
| chematic-smarts cargo | 1.0.37 | clean | SMARTS parser, VF2 subgraph isomorphism and MCS for chematic — pure-Rust RDKit alternative | 18K | 13h ago |
| chematic-rxn cargo | 1.0.37 | clean | Reaction SMILES/SMIRKS parser and writer for chematic — pure-Rust RDKit alternative | 17K | 13h ago |
| chematic-fp cargo | 1.0.37 | clean | ECFP4/6, MACCS 166-bit and topological path fingerprints with Tanimoto/Dice similarity for chematic | 12K | 13h ago |
| chematic-chem cargo | 1.0.37 | clean | Molecular descriptors: MW, LogP, TPSA, QED, Gasteiger charges, CIP stereo, Murcko scaffold, tautomers, BRICS fragmentation — pure-Rust | 11K | 13h ago |
| chematic-iupac cargo | 1.0.37 | clean | Local IUPAC name generation for chematic — pure-Rust, no network required | 11K | 13h ago |
| chematic-depict cargo | 1.0.37 | clean | 2D molecular structure depiction as SVG: ring templates, wedge/dash stereo bonds, CPK coloring, grid layout — pure-Rust, no C/C++ dependencies | 10K | 13h ago |
| chematic cargo | 1.0.37 | clean | A pure-Rust cheminformatics toolkit: SMILES/SMARTS, SDF/MOL V3000, ECFP/MACCS fingerprints, LogP/TPSA/QED, CIP stereo, MCS, 2D SVG depiction — no C/C++… | 9.0K | 13h ago |
| chematic-cip cargo | 1.0.37 | clean | Low-level accurate CIP (Cahn-Ingold-Prelog) digraph engine for chematic -- most applications should use chematic_chem::assign_cip_with_mode instead.… | 8.4K | 13h ago |
| cosmolkit-core cargo | 0.5.0-rc.12 | clean | Detached source-backed chemistry algorithms for the COSMolKit migration | 6.9K | 13h ago |
| cosmolkit cargo | 0.5.0-rc.12 | clean | Rust-native cheminformatics and structural biology toolkit for molecules, SMILES, SDF, molecular graphs, conformers, and AI-ready workflows | 6.5K | 12h ago |
| chematic-mol cargo | 1.0.37 | clean | MOL/SDF V2000 and V3000 parser and writer for chematic — pure-Rust RDKit alternative | 5.8K | 13h ago |
| chematic-inchi cargo | 1.0.37 | clean | Pure Rust InChI/InChIKey generation (WASM-compatible) + optional IUPAC-standard InChI via native-inchi feature | 5.7K | 13h ago |
| chematic-3d cargo | 1.0.37 | clean | 3D coordinate generation, DREIDING force field, velocity Verlet MD, PDB/XYZ I/O, conformer RMSD — pure Rust, WASM-compatible | 5.3K | 13h ago |
| chematic-ff cargo | 1.0.37 | clean | DREIDING force field atom typing and parameters for chematic — pure-Rust cheminformatics | 5.1K | 13h ago |
| chematic-ewald cargo | 1.0.37 | clean | Smooth Particle Mesh Ewald (SPME) electrostatics: real-space erfc Coulomb, reciprocal-space FFT, periodic boundary conditions — pure Rust | 2.0K | 13h ago |
| chematic-mcp cargo | 1.0.37 | clean | MCP (Model Context Protocol) server for chematic — AI-agent-ready cheminformatics tools | 1.8K | 5h ago |
| chematic-wasm cargo | 1.0.37 | clean | WebAssembly bindings for chematic — use chematic from JavaScript/TypeScript | 1.7K | 5h ago |
| chematic-crystal cargo | 1.0.37 | clean | Periodic crystal structure representation and geometry (lattice, fractional/Cartesian coordinates, PBC distance, periodic neighbors, supercells) for chematic… | 1.6K | 13h ago |
| cosmolkit-types cargo | 0.5.0-rc.12 | clean | Public shared chemical vocabulary and value enums for COSMolKit | 650 | 13h ago |
| cosmolkit-model cargo | 0.5.0-rc.12 | clean | Shared concrete molecular value model for COSMolKit algorithms | 634 | 13h ago |
| chematic-cli cargo | 1.0.36 | clean | Small command-line interface for common chematic molecule conversions | 526 | 2d ago |
| cosmolkit-search cargo | 0.5.0-rc.12 | clean | SMARTS, query planning, matching, and MCS over COSMolKit model values | 249 | 12h ago |
| cosmolkit-smiles cargo | 0.5.0-rc.12 | clean | SMILES parsing and writing over the COSMolKit detached model | 222 | 5h ago |
| cosmolkit-stereo cargo | 0.5.0-rc.12 | clean | Stereo enumeration and high-level stereochemistry algorithms | 217 | 5h ago |
| cosmolkit-conformer cargo | 0.5.0-rc.12 | clean | Conformer generation and distance geometry over detached model values | 214 | 12h ago |
