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afd

apijson

🏆码云最有价值开源项目 🚀后端接口和文档自动化，前端(客户端) 定制返回 JSON 的数据和结构！🏆Gitee Most Valuable Project 🚀A JSON Transmission Protocol and an ORM Library for automatically providing APIs and Docs.

atom3d

ATOM3D: tasks on molecules in three dimensions

automate-amazon

Selenium WebDriver/ Java: Writing draft of automation test framework to test Amazon.com

bioinformaticalaidemo

bokeh

Interactive Data Visualization in the browser, from Python

chatgpt-data-science-prompts

A repository of 60 useful data science prompts for ChatGPT

chemical_solubility

chemical_vae

Code for 10.1021/acscentsci.7b00572, now running on Keras 2.0 and Tensorflow

chemprop

Message Passing Neural Networks for Molecule Property Prediction

coinrun

Code for the paper "Quantifying Transfer in Reinforcement Learning"

coinrun_twoobjects

coinrun for two objectives with MOXCS

coinrunoneenv

coinrun train and test in one env

coinrunrepo

deepchem

Democratizing Deep-Learning for Drug Discovery, Quantum Chemistry, Materials Science and Biology

deeppurpose

A Deep Learning Toolkit for DTI, Drug Property, PPI, DDI, Protein Function Prediction (Bioinformatics)

drugdis

dst

deep sea treasure

e3_diffusion_for_molecules

gnn-project

A Graph Neural Network project on HIV data

gvae

h2oflow

k-gnn

Source code for our AAAI paper "Weisfeiler and Leman Go Neural: Higher-order Graph Neural Networks".

keras

Deep Learning for humans

keywordfinder

Automatic keyword extraction - no alchemy required!

mask_rcnn

Mask R-CNN for object detection and instance segmentation on Keras and TensorFlow

mg2n2

Molecule Generative Graph Neural Networks

mo-xcs-chebychef

molecular-vae

Implementation of the paper - Automatic chemical design using a data-driven continuous representation of molecules

molecule-generator

Tensorflow implementation of Generating Focussed Molecule Libraries for Drug Discovery with Recurrent Neural Networks