Pinned Repositories
-TensorFolwNotebook-from-Peking-University
该源码是北京大学公开课TensorFlow1.x的网课中源码的汇总，也包括了网课中小组成员的实战项目源码
2019
Active_Learning_MPNN
Applying Active Learning to Message Passing Neural Network Model for molecular property prediction
AdahessianFastai
aimnet
Atoms In Molecules Neural Network Potential
Alchemy
antibiotic
Reproducing results from "A Deep Learning Approach to Antibiotic Discovery"
ape-MPNN
Champion solution of Coalab Alchemy Contest
apple2019
complex network
mpnn
Open source implementation of "Neural Message Passing for Quantum Chemistry"
liuyunwu's Repositories
liuyunwu/autograd
Efficiently computes derivatives of numpy code.
liuyunwu/Bert-Multi-Label-Text-Classification
This repo contains a PyTorch implementation of a pretrained BERT model for multi-label text classification.
liuyunwu/bidd-molmap
MolMapNet: An Efficient Convolutional Neural Network Based on Constructed Feature Maps for Molecular Deep Learning
liuyunwu/chembl_multitask_model
liuyunwu/cs224w-2021-winter-colab
cs224w（图机器学习）2021冬季课程的colab
liuyunwu/Deep-Learning-with-TensorFlow-book
深度学习入门开源书，基于TensorFlow 2.0案例实战。Open source Deep Learning book, based on TensorFlow 2.0 framework.
liuyunwu/descriptastorus
Descriptor computation(chemistry) and (optional) storage for machine learning
liuyunwu/dmol-book
Deep learning for molecules and materials book
liuyunwu/fast-reinforcement-learning
Important Note fastrl version 2 is being developed at fastrl. Note the link in the readme
liuyunwu/fastai
The fastai deep learning library
liuyunwu/FastBERT
The score code of FastBERT (ACL2020)
liuyunwu/fastbook
The fastai book, published as Jupyter Notebooks
liuyunwu/GPT-GNN
Code for KDD'20 "Generative Pre-Training of Graph Neural Networks"
liuyunwu/GraSeq
GraSeq: Graph and Sequence Fusion Learning for Molecular Property Prediction. In CIKM 2020.
liuyunwu/hyperopt
Distributed Asynchronous Hyperparameter Optimization in Python
liuyunwu/imbalanced-learn
A Python Package to Tackle the Curse of Imbalanced Datasets in Machine Learning
liuyunwu/lap
Linear Assignment Problem solver (LAPJV/LAPMOD).
liuyunwu/lapjv
Linear Assignmment Problem solver using Jonker-Volgenant algorithm - Python 3 native module.
liuyunwu/moleculenet
Moleculenet.ai Datasets And Splits
liuyunwu/NLP_ability
总结梳理自然语言处理工程师(NLP)需要积累的各方面知识，包括面试题，各种基础知识，工程能力等等，提升核心竞争力
liuyunwu/OpenChem
OpenChem: Deep Learning toolkit for Computational Chemistry and Drug Design Research
liuyunwu/ORGAN
Objective-Reinforced Generative Adversarial Networks (ORGAN) for Sequence Generation Models
liuyunwu/pyHGT
Code for "Heterogeneous Graph Transformer" (WWW'20), which is based on pytorch_geometric
liuyunwu/pytorch-lightning
The lightweight PyTorch wrapper for high-performance AI research. Scale your models, not the boilerplate.
liuyunwu/pytorch_geometric
Geometric Deep Learning Extension Library for PyTorch
liuyunwu/rainy2023
liuyunwu/retrosynthesis
liuyunwu/selfies
Robust representation of semantically constrained graphs, in particular for molecules in chemistry
liuyunwu/simpletransformers
Transformers for Classification, NER, QA, Language Modelling, Language Generation, T5, Multi-Modal, and Conversational AI
liuyunwu/torchdrug
A powerful and flexible machine learning platform for drug discovery