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judechang's Projects

allccs icon allccs

Source code of AllCCS. Prediction function was provided in AllCCS web server (http://allccs.zhulab.cn/).

ann-solo icon ann-solo

Spectral library searching using approximate nearest neighbor techniques.

askcos icon askcos

Software package for computer aided synthesis planning

bert icon bert

TensorFlow code and pre-trained models for BERT

best-of-ml-python icon best-of-ml-python

🏆 A ranked list of awesome machine learning Python libraries. Updated weekly.

buddy icon buddy

Bottom-up MS/MS interrogation & Experiment-specific global annotation

casp-and-dataset-performance icon casp-and-dataset-performance

Source code and documentation of a computer assisted synthesis planning (CASP) tool used for the analysis of reaction datasets.

chatbot icon chatbot

一个可以自己进行训练的中文聊天机器人, 根据自己的语料训练出自己想要的聊天机器人,可以用于智能客服、在线问答、智能聊天等场景。目前包含seq2seq、seqGAN版本和tf2.0版本。

chemopt icon chemopt

Optimizing Chemical Reactions with Deep Reinforcement Learning

clustersheep icon clustersheep

A CUDA accelerated MS2 spectral clustering and cluster visualization software.

deepchem icon deepchem

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

deepdia icon deepdia

Using deep learning to generate in silico spectral libraries for data-independent acquisition analysis.

deepgcn-rt icon deepgcn-rt

This repository correspond to the article: Deep Graph Convolutional Network for Small-Molecule Retention Time Prediction by Qiyue Kang et al.

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