pctskate's repositories
ChIRo
Public Implementation of ChIRo from "Learning 3D Representations of Molecular Chirality with Invariance to Bond Rotations"
clinical-trial-outcome-prediction
benchmark dataset and Deep learning method (Hierarchical Interaction Network, HINT) for clinical trial approval probability prediction, accepted by Cell Patterns 2022.
course-v3
The 3rd edition of course.fast.ai
deep-molecular-optimization
Molecular optimization by capturing chemist’s intuition using the Seq2Seq with attention and the Transformer
example-code
Example code for the book Fluent Python, 1st Edition (O'Reilly, 2015)
fastai
The fastai deep learning library
gnn_base_model
copy from A201 before winter vocation
GSN
Official repository for the paper "Improving Graph Neural Network Expressivity via Subgraph Isomorphism Counting" (TPAMI'22) https://arxiv.org/abs/2006.09252
handson-ml2
A series of Jupyter notebooks that walk you through the fundamentals of Machine Learning and Deep Learning in Python using Scikit-Learn, Keras and TensorFlow 2.
ML-ensemble-docking
Improving Structure-Based Virtual Screening with Ensemble Docking and Machine Learning
mmpdb_v3.1
A package to identify matched molecular pairs and use them to predict property changes.
PaddleHelix
Bio-Computing Platform Featuring Large-Scale Representation Learning and Multi-Task Deep Learning “螺旋桨”生物计算工具集
pkasolver-data
Data repository for pkasolver
ProCare
ProCare: A Point Cloud Registration Approach to Align Protein Cavities
pydata-book
Materials and IPython notebooks for "Python for Data Analysis" by Wes McKinney, published by O'Reilly Media
SMSBoom
短信轰炸/短信测压/ | 一个健壮免费的python短信轰炸程序，专门炸坏蛋蛋，百万接口，多线程全自动添加有效接口，支持异步协程百万并发，全免费的短信轰炸工具！！hongkonger开发全网首发！！
subgraph_based_rat_pk
copy from A202 before winter vocation
team-learning-nlp
主要存储Datawhale组队学习中“自然语言处理”方向的资料。