clouwer

deepmd-kit

A deep learning package for many-body potential energy representation and molecular dynamics

protein_bert

KEPLER

Source code for TACL paper "KEPLER: A Unified Model for Knowledge Embedding and Pre-trained Language Representation".

ERNIE

Source code and dataset for ACL 2019 paper "ERNIE: Enhanced Language Representation with Informative Entities"

chemprop

Message Passing Neural Networks for Molecule Property Prediction

copolymer_informatics

Code for the paper Copolymer Informatics with Multi-Task Deep Neural Networks

doccano

Open source annotation tool for machine learning practitioners.

awesome-knowledge-graph-construction

learn

Machine learning and feature extraction for the Rephetio project

ChemBench

MoleculeNet benchmark dataset & MolMapNet dataset

auto-QChem

Quantum mechanical descriptor generation

GEANet-BioMed-Event-Extraction

Code for the paper Biomedical Event Extraction with Hierarchical Knowledge Graphs

grover

This is a Pytorch implementation of the paper: Self-Supervised Graph Transformer on Large-Scale Molecular Data

pypubmed

Toolkits for NCBI Pubmed

mt-dnn

Multi-Task Deep Neural Networks for Natural Language Understanding

scihub-cn

国内环境下可用的scihub论文下载器

scholar.py

A parser for Google Scholar, written in Python

google-scholar-crawler

A crawler to crawl google scholar search page

sort-google-scholar

Sorting Google Scholar search results based on the number of citations

pytorch-GAT

My implementation of the original GAT paper (Veličković et al.). I've additionally included the playground.py file for visualizing the Cora dataset, GAT embeddings, an attention mechanism, and entropy histograms. I've supported both Cora (transductive) and PPI (inductive) examples!

KnowledgeGraphEmbedding

nni

An open source AutoML toolkit for automate machine learning lifecycle, including feature engineering, neural architecture search, model compression and hyper-parameter tuning.

biobert

Bioinformatics'2020: BioBERT: a pre-trained biomedical language representation model for biomedical text mining

biobert-pretrained

BioBERT: a pre-trained biomedical language representation model for biomedical text mining

dgl

Python package built to ease deep learning on graph, on top of existing DL frameworks.

DeepIPW

Code for paper "A deep learning framework for drug repurposing via emulating clinical trials on real world patient data" (Accepted to Nature Machine Intelligence).

OpenChem

OpenChem: Deep Learning toolkit for Computational Chemistry and Drug Design Research

AutoGL

An autoML framework & toolkit for machine learning on graphs.

Chinese-BERT-wwm

Pre-Training with Whole Word Masking for Chinese BERT（中文BERT-wwm系列模型）

torchmd

End-To-End Molecular Dynamics (MD) Engine using PyTorch