githubXin123

githubXin123's Stars

• evolutionaryscale/esm

  Language:Python1.2k2175128

• westlake-repl/SaProt

  [ICLR'24 spotlight] Saprot: Protein Language Model with Structural Alphabet

  Language:Python32366432

• LirongWu/MAPE-PPI

  Code for ICLR 2024 (Spotlight) paper "MAPE-PPI: Towards Effective and Efficient Protein-Protein Interaction Prediction via Microenvironment-Aware Protein Embedding"

  Language:Python2332638

• kexinhuang12345/MolTrans

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

  Language:Jupyter Notebook17752142

• QizhiPei/FABind

  FABind: Fast and Accurate Protein-Ligand Binding (NeurIPS 2023)

  Language:Python10631615

• prokia/drugVQA

  Predicting Drug Protein Interaction using Quasi-Visual Question Answering System

  Language:Python10241037

• Mickdub/gvp

  Language:Python753013

• jcchan23/GraphSol

  Code of our JC paper: "Structure-aware protein solubility prediction from sequence through graph convolutional network and predicted contact map"

  Language:Python6511716

• bowen-gao/DrugCLIP

  [NeurIPS 2023] DrugCLIP: Contrastive Protein-Molecule Representation Learning for Virtual Screening

  Language:Python614135

• kexinhuang12345/SkipGNN

  SkipGNN: Predicting Molecular Interactions with Skip-Graph Networks (Scientific Reports)

  Language:Jupyter Notebook617215

• AaltoPML/Rethinking-pooling-in-GNNs

  Language:Python607311

• lifanchen-simm/transformerCPI2.0

  Sequence-to-drug concept adds a perspective on drug design. It can serve as an alternative method to SBDD, particularly for proteins that do not yet have high-quality 3D structures available.

  Language:Python550011

• tiwarylab/GrASP

  Graph Attention Site Prediction (GrASP): Identifying Druggable Binding Sites Using Graph Neural Networks with Attention

  Language:Python498135

• FilippoMB/Benchmark_dataset_for_graph_classification

  This repository contains a dataset for testing graph classification algorithms, such as Graph Kernels and Graph Neural Networks.

  Language:Python46618

• iamysk/AFsample2

  Modelling protein conformational landscape with Alphafold

  Language:Python33515

• ChatterjeeAyan/AI-Bind

  Interpretable AI pipeline improving binding predictions for novel protein targets and ligands

  Language:Jupyter Notebook28773

• LirongWu/PSC-CPI

  Code for AAAI 2024 paper "PSC-CPI: Multi-Scale Protein Sequence-Structure Contrasting for Efficient and Generalizable Compound-Protein Interaction Prediction"

  Language:Python24241

• ETHmodlab/dragonfly_gen

  De novo drug design with deep interactome learning

  Language:Python23004

• JK-Liu7/AttentionMGT-DTA

  Language:Python232164

• decodermu/GPD

  Graphormer Based Protein Sequence Design

  Language:Python22104

• luoyunan/KDBNet

  Kinase–drug binding prediction with calibrated uncertainty quantification

  Language:Python21122

• CMACH508/GLPocket

  Language:Python14120

• Chokyotager/BIND

  Leveraging protein-language models for virtual screening

  Language:Python10413

• bixiangpeng/HiSIF-DTA

  Language:Python8125

• JocelynSong/SurfPro

  Language:Python80

• DongqiFu/VCR-Graphormer

  VCR-Graphormer: A Mini-batch Graph Transformer via Virtual Connections, ICLR 2024

  Language:Python60

• syan1992/iNGNN-DTI

  Language:Python50

• xiangwenkai/GRAM

  Language:Python5101

• BUPT-GAMMA/Advancing-Molecule-Invariant-Representation-via-Privileged-Substructure-Identification

  Source code for KDD 2024 paper "Advancing Molecule Invariant Representation via Privileged Substructure Identification"

  Language:Python4120

• ayujain04/HERALD

  HERALD: HypERgraph representation learning based formuLAtion of Drug repurposing targets.

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