zw-simm Goto Github PK

clip

datase-required

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

image

isl-python

Solutions to labs and excercises from An Introduction to Statistical Learning, as Jupyter Notebooks.

islr

Introduction to Statistical Learning

jpg

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

linear-programming

python线性规划包

localretro

Retrosynthesis Prediction by Learning the Local Chemical Reactivity with Nonlocal Attention

medicine-wave

my-first-blog

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.

retrosim

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).

scripts

sftllms_for_chemtext_mining

simcrr

stamp-dpi

STAMP-DPI for drug-protein interaction prediction based on GalaxyDB.

survey_ai_drug_discovery

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