biomed-AI / MUSE

Related projects: ⓘ

• guaguabujianle / MGraphDTA
  ☆42Updated 3 weeks ago
• admislf / MINN-DTI
  Effective drug-target interaction prediction with mutual interaction neural network
  ☆28Updated 2 years ago
• JU-HuaY / MFR
  ☆10Updated last year
• Chokyotager / NotYetAnotherNightshade
  Graph variational encoders for drug engineering and potentiation
  ☆23Updated last year
• CSUBioGroup / BACPI
  A bi-directional attention neural network for compound–protein interaction and binding affinity prediction.
  ☆29Updated last year
• wzxxxx / Knowledge-based-BERT
  K-BERT for molecular property prediction.
  ☆23Updated 2 years ago
• AndMastro / protein-ligand-GNN
  This repository contains the code for the work on protein-ligand interaction with GNNs and XAI
  ☆32Updated 8 months ago
• guaguabujianle / ML-DTI
  ☆12Updated 3 years ago
• wzxxxx / MGA
  MGA
  ☆40Updated 3 years ago
• HBioquant / DiffBindFR
  Diffusion model based protein-ligand flexible docking method
  ☆85Updated this week
• 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…
  ☆55Updated last year
• JK-Liu7 / AttentionMGT-DTA
  ☆23Updated 3 months ago
• HaotianZhangAI4Science / ResGen
  3D_Molecular_Generation
  ☆72Updated 10 months ago
• tiejundong / FlexPose
  FlexPose, a framework for AI-based flexible modeling of protein-ligand binding pose.
  ☆46Updated 8 months ago
• ChengF-Lab / ImageMol
  ☆39Updated 10 months ago
• ComputArtCMCG / PLANET
  ☆45Updated 9 months ago
• tiantz17 / PocketAnchor
  Learning Structure-based Pocket Representations for Protein-Ligand Interaction Prediction
  ☆27Updated last year
• myprecioushh / ZeroBind
  ☆20Updated 5 months ago
• CAODH / EquiScore
  ☆55Updated 8 months ago
• huankoh / PSICHIC
  PSICHIC (pronounced Psychic) - PhySIcoCHemICal graph neural network for learning protein-ligand interaction fingerprints from sequence da…
  ☆70Updated 3 months ago
• zchwang / DeepRMSD-Vina_Optimization
  DeepRMSD+Vina is a computational framework that integrates ligand binding pose optimization and screening.
  ☆36Updated 7 months ago
• schrojunzhang / KarmaDock
  ☆87Updated last month
• zjujdj / InteractionGraphNet
  InteractionGraphNet: a Novel and Efficient Deep Graph Representation Learning Framework for Accurate Protein-Ligand Interaction Predictio…
  ☆43Updated last year
• zaixizhang / FLAG
  Implementation of ICLR23 paper "Molecule Generation for Target Protein Binding with Structural Motifs"
  ☆59Updated 5 months ago
• stonewiseAIDrugDesign / Lingo3DMol
  ☆47Updated 9 months ago
• guaguabujianle / GIGN
  ☆35Updated last year
• sun-heqi / MultiPPIMI
  A deep learning framework for predicting interactions between protein-protein interaction targets and modulators
  ☆11Updated 9 months ago
• zhaoqichang / HpyerAttentionDTI
  HyperAttentionDTI: improving drug–protein interaction prediction by sequence-based deep learning with attention mechanism. This repositor…
  ☆35Updated 3 years ago
• sc8668 / RTMScore
  ☆85Updated last year
• agave233 / GeomGCL
  Official implementation for AAAI 2022 paper: "GeomGCL: Geometric Graph Contrastive Learning for Molecular Property Prediction".
  ☆17Updated 2 years ago