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ytworks's Projects

dgl icon dgl

Python package built to ease deep learning on graph, on top of existing DL frameworks.

diffdock icon diffdock

Implementation of DiffDock: Diffusion Steps, Twists, and Turns for Molecular Docking

fegrow icon fegrow

An Open-Source Molecular Builder and Free Energy Preparation Workflow

fsnd icon fsnd

Public repository for the Full-Stack Nanodegree program.

libsdae icon libsdae

A simple Tensorflow based library for Deep autoencoder and denoising AE.

policy-proposal icon policy-proposal

一般社団法人日本CTO協会による提言を掲載するリポジトリです。

rd_filters icon rd_filters

A script to run structural alerts using the RDKit and ChEMBL

syba icon syba

Synthetic Bayesian Classification

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