chemicalxA PyTorch and TorchDrug based deep learning library for drug pair scoring.
DECIMER-Image-to-SMILESThe repository contains the network and the related scripts for encoder-decoder based Chemical Image Recognition
paccmann datasetspytoda - PaccMann PyTorch Dataset Classes. Read the docs: https://paccmann.github.io/paccmann_datasets/
pysmilesA lightweight python-only library for reading and writing SMILES strings
global-chemA Chemical Knowledge Graph of What is Common in the World.