| 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 | 14h 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 | 14h 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 | 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 | 14h ago |
| chematic-ff cargo | 1.0.37 | clean | DREIDING force field atom typing and parameters for chematic — pure-Rust cheminformatics | 5.1K | 14h ago |
| cosmolkit-inchi cargo | 0.5.0-rc.12 | clean | Reusable source-port boundary for the IUPAC InChI engine | 2.7K | 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 |
| molcrafts-molrs cargo | 0.15.0 | clean | Molecular simulation toolkit: core data structures, IO, trajectory analysis, force fields, SMILES, and 3D conformer generation (feature-gated modules) | 718 | 2d 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 |
| molframe-surface cargo | 0.5.2 | clean | Solvent-accessible and molecular surfaces for molframe | 610 | 2d ago |
| molgfx-math cargo | 0.5.3 | clean | glam-based math foundation: cameras, projections, bounds, splines, transport frames. | 508 | 2d ago |
| molgfx-core cargo | 0.5.3 | clean | The semantic scene graph: columnar tables, GPU record layouts, the borrowed coordinate seam. | 495 | 2d ago |
| molgfx-gpu cargo | 0.5.3 | clean | The backend-agnostic GPU hardware abstraction: device, queue, encoder and surface traits. | 448 | 2d ago |
| molgfx-semantic cargo | 0.5.3 | clean | The semantic layer: focus and context, banding, interaction edges, label policy. | 432 | 2d ago |
| molgfx-geometry cargo | 0.5.3 | clean | GPU geometry generation: impostor packing, cartoons, labels, bounding hierarchies. | 425 | 2d ago |
| molgfx-shaders cargo | 0.5.3 | clean | The shared WGSL shader library and its build-time composition and validation. | 407 | 2d ago |
| molgfx-render cargo | 0.5.3 | clean | The render graph, passes and the engine that drives a frame. | 381 | 2d ago |
| molgfx-wgpu cargo | 0.5.3 | clean | The default GPU backend, implementing the hardware abstraction over wgpu. | 376 | 2d ago |
| molgfx-command cargo | 0.5.3 | clean | The typed authoring command language and session for MolGFX scenes. | 211 | 2d ago |
| molgfx cargo | 0.5.3 | clean | Curated declarative molecular-rendering API. | 203 | 2d ago |
| molgfx-scene cargo | 0.5.3 | clean | Scene state: declarative specs, patches, transactions and the renderer front. | 191 | 2d ago |
| molgfx-wasm cargo | 0.5.3 | clean | Thin browser bindings for molgfx over WebGPU. | 172 | 2d ago |
| linkcell cargo | 0.3.8 | clean | Periodic linked-cell cutoff pairs and k-nearest neighbour search | 77 | 3d ago |
| Atomica cargo | 0.1.0 | clean | A CLI tool/ crate for parsing molecular data | 40 | 1h ago |
