UniversalNature's repositories
Molecular-graph-BERT
semi-supervised learning for molecular property prediction
SMILES-enumeration
SMILES enumeration for QSAR modelling using LSTM recurrent neural networks
Knowledge-based-BERT
K-BERT for molecular property prediction.
CS-BAOYAN
计算机保研交流群（QQ群号：605176069）
DeepPurpose
A Deep Learning Toolkit for DTI, Drug Property, PPI, DDI, Protein Function Prediction (Bioinformatics)
dimenet
DimeNet and DimeNet++ models, as proposed in "Directional Message Passing for Molecular Graphs" (ICLR 2020) and "Fast and Uncertainty-Aware Directional Message Passing for Non-Equilibrium Molecules" (NeurIPS-W 2020)
EAGCN
Multi-View Spectral Graph Convolution with Consistent Edge Attention for Molecular Modeling
ESP32-BLE-Keyboard
Bluetooth LE Keyboard library for the ESP32 (Arduino IDE compatible)
GraphDTA
GraphDTA: Predicting drug-target binding affinity with graph neural networks
GraphNeuralNetwork
《深入浅出图神经网络：GNN原理解析》配套代码
icml18-jtnn
Junction Tree Variational Autoencoder for Molecular Graph Generation (ICML 2018)
KGNN
Source Code for IJCAI'20 "KGNN: Knowledge Graph Neural Network for Drug-Drug Interaction Prediction"
KIDS
Knowledge Integration and Decision Support
King-of-Pigeon
欢迎 star ，有机会会继续更新。
LGL
Lifelong Graph Learning (CVPR 2022 Oral)
machinelearning
My blogs and code for machine learning. http://cnblogs.com/pinard
MG2N2
Molecule Generative Graph Neural Networks
modlAMP
Python package for peptide sequence generation, peptide descriptor calculation and sequence analysis.
mysupervisor_save
收集“导师评价”相关资源，及原“导师评价网”存档数据
neurips19-graph-protein-design
Generative Models for Graph-Based Protein Design
smiles-transformer
Original implementation of the paper "SMILES Transformer: Pre-trained Molecular Fingerprint for Low Data Drug Discovery" by Shion Honda et al.
transformers
🤗Transformers: State-of-the-art Natural Language Processing for Pytorch and TensorFlow 2.0.