zw-SIMM's repositories
RDKit_Notebook
在学习RDKit，SMLIES，SMARTS时整理的资料，RDKit-tutorials including RDKit Cookbook，The RDKit Book，and SMARTS examples.
ISL-python
Solutions to labs and excercises from An Introduction to Statistical Learning, as Jupyter Notebooks.
Linear-Programming
python线性规划包
DeepLearning
study
DeepLearning_LHY21_Notes
深度学习 李宏毅 2021 学习笔记
enzymemap
Python package to atom map, correct and suggest enzymatic reactions
GAug
AAAI'21: Data Augmentation for Graph Neural Networks
gnina
A deep learning framework for molecular docking
GraphCL
[NeurIPS 2020] "Graph Contrastive Learning with Augmentations" by Yuning You, Tianlong Chen, Yongduo Sui, Ting Chen, Zhangyang Wang, Yang Shen
ISLR
Introduction to Statistical Learning
Lhy_Machine_Learning
李宏毅2021春季机器学习课程课件及作业
lihang-code
《统计学习方法》的代码实现
LocalRetro
Retrosynthesis Prediction by Learning the Local Chemical Reactivity with Nonlocal Attention
rxnmapper
RXNMapper: Unsupervised attention-guided atom-mapping. Code complementing our Science Advances publication on "Extraction of organic chemistry grammar from unsupervised learning of chemical reactions" (https://advances.sciencemag.org/content/7/15/eabe4166).
STAMP-DPI
STAMP-DPI for drug-protein interaction prediction based on GalaxyDB.
The-Kaggle-Book
Code Repository for The Kaggle Book, Published by Packt Publishing
Transformers-for-NLP-2nd-Edition
Under the hood working of transformers, fine-tuning GPT-3 models, DeBERTa, vision models, and the start of Metaverse, using a variety of NLP platforms: Hugging Face, OpenAI API, Trax, and AllenNLP