XuanLin1991

XuanLin1991's Stars

• rasbt/LLMs-from-scratch

  Implement a ChatGPT-like LLM in PyTorch from scratch, step by step

  Language:Jupyter Notebook33.8k3661074.1k

• google-deepmind/alphafold

  Open source code for AlphaFold 2.

  Language:Python12.9k2298632.3k

• google-research/simclr

  SimCLRv2 - Big Self-Supervised Models are Strong Semi-Supervised Learners

  Language:Jupyter Notebook4.1k47197626

• yuchenlin/rebiber

  A simple tool to update bib entries with their official information (e.g., DBLP or the ACL anthology).

  Language:Python2.7k1530159

• RosettaCommons/RoseTTAFold

  This package contains deep learning models and related scripts for RoseTTAFold

  Language:Python2k59132440

• mwaskom/seaborn-data

  Data repository for seaborn examples

  Language:Python1.6k63123k

• DeepGraphLearning/torchdrug

  A powerful and flexible machine learning platform for drug discovery

  Language:Python1.4k29225200

• PaddlePaddle/PaddleHelix

  Bio-Computing Platform Featuring Large-Scale Representation Learning and Multi-Task Deep Learning “螺旋桨”生物计算工具集

  Language:Python1k24120225

• PyGCL/PyGCL

  PyGCL: A PyTorch Library for Graph Contrastive Learning

  Language:Python89984796

• AstraZeneca/chemicalx

  A PyTorch and TorchDrug based deep learning library for drug pair scoring. (KDD 2022)

  Language:Python714224388

• materialsvirtuallab/megnet

  Graph Networks as a Universal Machine Learning Framework for Molecules and Crystals

  Language:Jupyter Notebook5082474158

• drorlab/atom3d

  ATOM3D: tasks on molecules in three dimensions

  Language:Python303176235

• kavehhassani/mvgrl

  Language:Python259101646

• yuyangw/MolCLR

  Implementation of MolCLR: "Molecular Contrastive Learning of Representations via Graph Neural Networks" in PyG.

  Language:Python25412761

• thinng/GraphDTA

  GraphDTA: Predicting drug-target binding affinity with graph neural networks

  Language:Python22741878

• kexinhuang12345/MolTrans

  MolTrans: Molecular Interaction Transformer for Drug Target Interaction Prediction (Bioinformatics)

  Language:Jupyter Notebook18862143

• divelab/MoleculeX

  Language:Python16161126

• blender-nlp/MolT5

  Associated Repository for "Translation between Molecules and Natural Language"

  Language:Python16031121

• benstaf/ChemGAN-challenge

  Code for the paper: ChemGAN challenge for drug discovery: can AI reproduce natural chemical diversity? arXiv preprint arXiv:1708.08227.

  Language:Python1139456

• THUDM/ProteinLM

  Protein Language Model

  Language:Python11311820

• smiles724/Molformer

  Language:Python892712

• yueyu1030/SumGNN

  [Bioinformatics 2021] This is the repo for the paper `SumGNN: Multi-typed Drug Interaction Prediction via Efficient Knowledge Graph Summarization'.

  Language:Python8401320

• thunlp/KV-PLM

  Source code for "A Deep-learning System Bridging Molecule Structure and Biomedical Text with Comprehension Comparable to Human Professionals"

  Language:Python839315

• YifanDengWHU/DDIMDL

  Language:Python6822817

• kekegg/DLEPS

  A Deep Learning based Efficacy Prediction System for drug discovery

  Language:Jupyter Notebook6281134

• IBM/otter-knowledge

  Knowledge-enhanced learned representation enriches protein sequence and SMILES drug databases with a large Knowledge Graph fused from different sources. This improves results on TDC drug target binding affinity prediction benchmarks.

  Language:Python51908

• isjakewong/MIRACLE

  Multi-view Graph Contrastive Representation Learning for Drug-drug Interaction Prediction

  Language:Python42258

• PatWalters/interactive_plots

  Interactive plots with chemical structures

  Language:Python16318

• ngminhtri0394/MACDA

  Drug-target binding affinity counterfactual generation

  Language:Python7201

• jones-gareth/OraRdkitCart

  Chemical Data Cartridge for Oracle using RDKit

  Language:Java31