hkqiu / seq_encode

Convert SMILES (chemical structure) to one-hot matrix.

Sequence Encoder

Convert SMILES (chemical structure) or peptides (proteins) to one-hot matrix.

Installation

pip install git+https://github.com/hcji/seq_encode.git

Usage

See /example/example.py

Cite

Predicting Molecular Fingerprint from Electron-Ionization Mass Spectrum with Deep Neural Networks