JOELib

JOELib is a set of open-source libraries written in Java for computational chemistry and cheminformatics. It provides tools for tasks such as molecular structure manipulation, file format conversion, descriptor calculation, and some basic molecular mechanics functionalities.

JOELib aims to be a platform for developing cheminformatics applications and tools. Its modular design allows developers to easily integrate its functionalities into other software. The library supports reading and writing various chemical file formats, including but not limited to, MOL, SDF, SMILES, and CML.

Key features of JOELib include:

• Molecular Representation: Core classes for representing molecules, atoms, bonds, and associated properties.
• File Format Handling: Parsing and writing of standard chemical file formats.
• Descriptor Calculation: Calculation of various molecular descriptors for QSAR/QSPR modeling.
• Basic Molecular Mechanics: Limited support for energy minimization and conformational analysis.
• Platform Independence: Being written in Java, JOELib offers cross-platform compatibility.

JOELib has been used in various research projects and software applications related to drug discovery, materials science, and chemical information management. While it offers a range of functionalities, its development and maintenance activity has been observed to vary over time.