Fingerprints Python Packages

chematic

A pure-Rust cheminformatics library targeting RDKit feature parity — zero C/C++ by default.

chrome-fingerprints

A Collection of 10.000 collected Windows Chrome Fingerprints. Usable with an easy-to-use API, available as a compressed (lzma) or full-size Json (view Releases). Its just 1.4mb in size in compressed form, and fast in read times.

hddflyzer

Traceable molecular descriptor-space workflows for CLI and Python.

moleculapy

👨‍🔬 A command-line application that utilizes the RDKit library to compute molecular descriptors and fingerprints, aiding in the analysis and characterization of chemical structures

rdkit-cli

Python command line tool for rdkit library, fast, simple and reactive

smiles-featurizers

A python library for extracting molecular SMILES embeddings from language models pre-trained with various objectives and/or architectures.