Toolkits
Programming libraries providing other applications with object-oriented accessibility to a given set of capabilities.
- OEChem TK - Cheminformatics and 3D molecular data handling.
- SCUT Monkeys - All the apps that are included with OEChem.
- GraphSim TK - 2D molecular fingerprints and similarity calculations.
- MolProp TK - 2D molecular property calculation and filtering.
- Lexichem TK - State-of-the-art compound name and structure interconversion with support for multiple languages.
- Ogham TK - Elegant 2D structure rendering of compounds.
- Omega TK - Conformer generation.
- Shape TK - Molecular shape comparisons based on 3D overlays.
- Spicoli TK - Rapid molecular surface generation and manipulation.
- Syzkbi TK - Generalized function optimization, e.g. molecular structure optimization.
- Zap TK - An efficient Poisson-Boltzmann electrostatics solver.
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