songyu2022

songyu2022's Stars

• MengwuXiao/GetBox-PyMOL-Plugin

  A PyMOL Plugin for calculating docking box for LeDock, AutoDock and AutoDock Vina.

  Language:Python7918

• lihan97/KPGT

  codes for KPGT (Knowledge-guided Pre-training of Graph Transformer)

  Language:Python7313

• l0o0/jasminum

  A Zotero add-on to retrive CNKI meta data. 一个简单的Zotero 插件，用于识别中文元数据

  Language:TypeScript5k275

• zotero-chinese/styles

  中文 CSL 样式

  Language:XML4.9k813

• taichi-dev/taichi

  Productive, portable, and performant GPU programming in Python.

  Language:C++25k2.3k

• idrugLab/FP-GNN

  Language:Python5111

• dptech-corp/Uni-Dock

  Uni-Dock: a GPU-accelerated molecular docking program

  Language:C++17437

• jamesgleave/DD_protocol

  Official repository for the Deep Docking protocol

  Language:Python8829

• alizat/Chemogenomic-DTI-Prediction-Methods

  Algorithms for prediction of drug-target interactions via computational (chemogenomic) methods

  Language:MATLAB4314

• huawei-noah/VanillaNet

  Language:Python80057

• kexinhuang12345/MolTrans

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

  Language:Jupyter Notebook17044

• peizhenbai/DrugBAN

  Interpretable bilinear attention network with domain adaptation improves drug-target prediction.

  Language:Python9512

• XiaoqiongXia/MDTips

  Language:Python144

• Eugeny/tabby

  A terminal for a more modern age

  Language:TypeScript56.9k3.3k

• lbcb-sci/GNNome

  A framework for training graph neural networks to untangle assembly graphs obtained from OLC-based de novo genome assemblers.

  Language:Python214

• prody/ProDy

  A Python Package for Protein Dynamics Analysis

  Language:Python400145

• AndMastro/EdgeSHAPer

  EdgeSHAPer: Bond-Centric Shapley Value-Based Explanation Method for Graph Neural Networks

  Language:Jupyter Notebook231

• AndMastro/protein-ligand-GNN

  This repository contains the code for the work on protein-ligand interaction with GNNs and XAI

  Language:Python314

• YerongAI/Office-Tool

  Office Tool Plus localization projects.

  9.1k818

• vktrannguyen/MLSF-protocol

  Language:Jupyter Notebook341

• GIST-CSBL/DeepConv-DTI

  DeepConv-DTI: Prediction of drug-target interactions via deep learning with convolution on protein sequences

  Language:Python6760

• ranzhran/MHTAN-DTI

  Language:Python71

• DachengLi1/MPCFormer

  (ICLR 2023 Spotlight) MPCFormer: fast, performant, and private transformer inference with MPC

  Language:Python8010

• PatWalters/faiss_kmeans

  K-Means clustering of molecules with the FASS library from Facebook AI Research

  Language:Python107

• schrojunzhang/KarmaDock

  Language:Python799

• Chokyotager/NotYetAnotherNightshade

  Graph variational encoders for drug engineering and potentiation

  Language:Python214

• autogluon/autogluon

  Fast and Accurate ML in 3 Lines of Code

  Language:Python7.4k876

• lh3/minimap2

  A versatile pairwise aligner for genomic and spliced nucleotide sequences

  Language:C1.7k401

• mummer4/mummer

  Mummer alignment tool

  Language:C++431108

• aidenlab/3d-dna

  3D de novo assembly (3D DNA) pipeline

  Language:Shell19656