Graph-based molecule modeling toolkit for cheminformatics
Python package built to ease deep learning on graph
Chemical structures database & machine learning with web services API
molecular editor and viewer
Modular and comprehensive toolkit for use in cheminformatics
Predicting Organic Reactions using Neural Networks.
Open-Source Cheminformatics and Machine Learning
Avalon Toolkit for SMILES-based cheminformatics services
HTML5 program for drawing and editting molecular structures
ParallelVSR - a pipeline for parallel virtual screening on R platform