The fastai deep learning library

Convolutional Neural Networks on Graphs with Fast Localized Spectral Filtering

Wining solution and its improvement for MICCAI 2017 Robotic Instrument Segmentation Sub-Challenge

Graph Networks as a Universal Machine Learning Framework for Molecules and Crystals

Cloud-based molecular simulations for everyone

書籍「つくりながら学ぶ！深層強化学習」のサポートリポジトリです

tensorflow implementation of Grad-CAM (CNN visualization)

Python for chemoinformatics

Scoring of shape and ESP similarity with RDKit

active learning for accelerated high-throughput virtual screening

[DEPRECATED] A Neural Network based generative model for captioning images using Tensorflow

This repository contains code for the paper: Beyond Generative Models: Superfast Traversal, Optimization, Novelty, Exploration and Discovery (STONED) Algorithm for Molecules using SELFIES

An Open-Source Molecular Builder and Free Energy Preparation Workflow

Thompson Sampling

a deep learning architecture for protein-ligand binding affinity prediction

Open Source, Automated free binding free energy calculation between protein and small molecule. An all-in-one workflow, free energy pertubation with OpenMM.

Evaluating Protein Binding Interfaces with Transformer Networks

Learning from Discharge Summaries to extract mentioned diagnoses using Hierarchical Attention Model

Implementation of Google's Inception + ResNet v2 architecture in Keras

programs about machine learning

技術書のサポートページです

Modified Pytorch Lightning implementation of paper:-https://jcheminf.biomedcentral.com/track/pdf/10.1186/s13321-019-0407-y

testing and benchmarking perses protein mutations

Integrated Cell project implemented in pytorch