Results for openbabel

Python interface to the Open Babel chemistry library

Rust bindings to cheminformatics toolbox OpenBabel

Native bindings to OpenBabel

ChiralDB: a cheminformatics database written in Rust

Data Source Management for ChiralDB

Rust bindings to ReCGen: Generate virtual compounds based on input structure

Pure-Rust cheminformatics library — RDKit alternative with zero C/C++ FFI (umbrella crate)

3D coordinate generation, force-field minimization, PDB/XYZ I/O for chematic — pure Rust

Molecular descriptors (MW, LogP, TPSA, CIP), standardization and Murcko scaffold for chematic

Core types (Atom, Bond, Molecule) for chematic — pure-Rust RDKit alternative, WASM-compatible

2D SVG molecular depiction for chematic — pure-Rust RDKit alternative

ECFP4/6, MACCS 166-bit and topological path fingerprints with Tanimoto/Dice similarity for chematic

MOL/SDF V2000 and V3000 parser and writer for chematic — pure-Rust RDKit alternative

OpenBabel as a GEM

OpenBabel as a GEM for heroku

Ruby bindings for OpenBabel, an open-source chemical toolbox for molecular modeling, cheminformatics, and computational chemistry. Supports 110+ molecular file formats (SMILES, SDF, MOL2, PDB, CIF, etc.), molecular fingerprints, 2D/3D coordinate generation, and structure manipulation. The gem compiles OpenBabel 3.1.1 from source with SWIG bindings during installation.

Ruby interface to the OpenBabel ruby bindings similar to pybel