lingjiebao1998 Goto Github PK

awesome-molecular-dynamics

:sunglasses: A curated list of awesome Molecular Dynamics libraries, tools and software.

bayesian-analysis-with-python

《用Python做贝叶斯分析》

chemical-informatics

Chemical informatics by Bob

cmgnet

coding-interview-university

A complete computer science study plan to become a software engineer.

conformalpredictiontutorial

deep-active-learning

Deep Active Learning

deeplearning-500-questions

深度学习500问，以问答形式对常用的概率知识、线性代数、机器学习、深度学习、计算机视觉等热点问题进行阐述，以帮助自己及有需要的读者。 全书分为17个章节，20多万字。由于水平有限，书中不妥之处恳请广大读者批评指正。 未完待续............ 如有意合作，联系[email protected] 版权所有，违权必究 Tan 2018.06

edbo

Experimental Design via Bayesian Optimization

gaussian-processes-regression-tutorial

An Intuitive Tutorial to Gaussian Processes Regression

gbdt-uncertainty

geometric-gnn-dojo

Geometric GNN Dojo provides unified implementations and experiments to explore the design space of Geometric Graph Neural Networks.

getting-started-with-gpus

git-demo

hefei_ecg_top1

“合肥高新杯”心电人机智能大赛 —— 心电异常事件预测 TOP1 Solution

ibm3202

Google Colab Tutorials for IBM3202

kip

learn_python3_spider

python爬虫教程系列、从0到1学习python爬虫，包括浏览器抓包，手机APP抓包，如 fiddler、mitmproxy，各种爬虫涉及的模块的使用，如：requests、beautifulSoup、selenium、appium、scrapy等，以及IP代理，验证码识别，Mysql，MongoDB数据库的python使用，多线程多进程爬虫的使用，css 爬虫加密逆向破解，JS爬虫逆向，分布式爬虫，爬虫项目实战实例等

learning_and_work

lingjiebao1998

Config files for my GitHub profile.

mcmc

Implementation of Markov Chain Monte Carlo in Python from scratch

md_python

The repository with the lecture and tutorial for CPS teaching grant

metapath2vec

Implementation of metapath2vec

moldetect

A Sequence Generation Model for Reaction Diagram Parsing

molecular-dynamics-simulation

Sample codes for my book on molecular dynamics simulation

notebook

My first ever repository, some notebooks useful, others sucks. Topics include file format conversion with obabel, docking with Auto Dock, MD with Charmm GUI and QSAR etc, never expect the format is perfect.

pretrian

qsar-covid-19-app

Interactive web App to predict anti-COVID19 3C-like protease bioactivity for given SMILES

rxn_yields

Code complementing our manuscript on the prediction of chemical reaction yields (https://iopscience.iop.org/article/10.1088/2632-2153/abc81d) and data augmentation strategies (https://doi.org/10.26434/chemrxiv.13286741).

sakurai-go