Alternatives and similar repositories for MGNN

Users that are interested in MGNN are comparing it to the libraries listed below

• ChengF-Lab / ImageMol
  ☆47Updated 2 years ago
• AndMastro / protein-ligand-GNN
  This repository contains the code for the work on protein-ligand interaction with GNNs and XAI
  ☆36Updated 2 years ago
• wzxxxx / MGA
  MGA
  ☆44Updated 5 years ago
• agave233 / SIGN
  Official implementation of 'Structure-aware Interactive Graph Neural Networks for the Prediction of Protein-Ligand Binding Affinity' (KDD…
  ☆39Updated 4 years ago
• biomed-AI / STAMP-DPI
  ☆31Updated 3 years ago
• OdinZhang / ResGen
  3D_Molecular_Generation
  ☆103Updated last year
• CSUBioGroup / PGMG
  The official PyTorch implementation of PGMG: A Pharmacophore-Guided Deep Learning Approach for Bioactive Molecule Generation.
  ☆68Updated 2 years ago
• wzxxxx / Prompt-MolOpt
  a multi-property optimization method.
  ☆32Updated last year
• 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…
  ☆77Updated 2 years ago
• JU-HuaY / MFR
  ☆10Updated 2 years ago
• mindrank-ai / PharmHGT
  ☆22Updated 2 years ago
• guaguabujianle / MGraphDTA
  ☆59Updated last year
• lishuya17 / MONN
  MONN: a Multi-Objective Neural Network for Predicting Pairwise Non-Covalent Interactions and Binding Affinities between Compounds and Pro…
  ☆104Updated 5 years ago
• guaguabujianle / GIGN
  ☆48Updated 2 years ago
• yvquanli / GLAM
  Code for "An adaptive graph learning method for automated molecular interactions and properties predictions".
  ☆40Updated 3 years ago
• CSUBioGroup / BACPI
  A bi-directional attention neural network for compound–protein interaction and binding affinity prediction.
  ☆33Updated 3 years ago
• biomed-AI / GraphPPIS
  ☆54Updated last year
• 595693085 / DGraphDTA
  a novel DTA predition method using graph neural network
  ☆76Updated 2 years ago
• CSUBioGroup / DTIAM
  A unified framework for predicting drug-target interactions, binding affinities and activation/inhibition mechanisms.
  ☆52Updated 5 months ago
• prokia / drugVQA
  Predicting Drug Protein Interaction using Quasi-Visual Question Answering System
  ☆127Updated last year
• myprecioushh / ZeroBind
  ☆26Updated last year
• llnl / FAST
  Fusion models for Atomic and molecular STructures (FAST)
  ☆92Updated 2 years ago
• idrugLab / hignn
  Code for "HiGNN: A Hierarchical Informative Graph Neural Network for Molecular Property Prediction Equipped with Feature-Wise Attention"
  ☆52Updated 3 years ago
• HongxinXiang / ImageMol
  ImageMol is a molecular image-based pre-training deep learning framework for computational drug discovery.
  ☆56Updated 10 months ago
• biomed-AI / MUSE
  ☆26Updated last year
• OdinZhang / AI-Physics-DrugDiscovery
  my own studied materials and scripts
  ☆58Updated last week
• smiles724 / ProtMD
  ☆65Updated 7 months ago
• Wang-Lin-boop / GeminiMol
  Incorporation of conformational space profile into molecular representation learning, and its application to drug discovery, including vi…
  ☆66Updated 5 months ago
• bm2-lab / X-MOL
  ☆38Updated 4 years ago
• wangyu-sd / RetroExplainer
  RetroExplainer: A chemical knowledge and deep-leaning guided molecular assembly approach for retrosynthesis prediction with quantitative …
  ☆81Updated 2 years ago