🦜🔗 Build context-aware reasoning applications

An open-source, low-code machine learning library in Python

『ゼロから作る Deep Learning』(O'Reilly Japan, 2016)

Convolutional Neural Networks on Graphs with Fast Localized Spectral Filtering

Practical Cheminformatics Tutorials

Large scale K-means and K-nn implementation on NVIDIA GPU / CUDA

An Open Framework for Federated Learning.

Create an issue on FireDucks

Original implementation of the paper "SMILES Transformer: Pre-trained Molecular Fingerprint for Low Data Drug Discovery" by Shion Honda et al.

Repository for MolFormer

Fast and memory-efficient clustering

An enhanced interactive Shell for Common Lisp (based on the Jupyter protocol)

MolTrans: Molecular Interaction Transformer for Drug Target Interaction Prediction (Bioinformatics)

A python package for chemical space visualization.

Code repo for optimizing distributions of molecules.

Material for the EPFL master course "A Network Tour of Data Science", edition 2016.

IUPAC SMILES+ Specification

Junction Tree Variational AutoEncoder Implementation Attempt