Alternatives and similar repositories for MeTDDI

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

• admislf / MINN-DTI
  Effective drug-target interaction prediction with mutual interaction neural network
  ☆33Updated 3 years ago
• Wang-Lin-boop / GeminiMol
  Incorporation of conformational space profile into molecular representation learning, and its application to drug discovery, including vi…
  ☆67Updated 4 months ago
• zaixizhang / FLAG
  Implementation of ICLR23 paper "Molecule Generation for Target Protein Binding with Structural Motifs"
  ☆70Updated last year
• AndMastro / protein-ligand-GNN
  This repository contains the code for the work on protein-ligand interaction with GNNs and XAI
  ☆36Updated last year
• wzxxxx / MGA
  MGA
  ☆44Updated 4 years ago
• CSUBioGroup / BACPI
  A bi-directional attention neural network for compound–protein interaction and binding affinity prediction.
  ☆32Updated 2 years ago
• wzxxxx / Prompt-MolOpt
  a multi-property optimization method.
  ☆32Updated 11 months ago
• DrugAI / ACNet
  ☆17Updated 3 years ago
• anny0316 / GEOM-CVAE
  ☆15Updated 4 years ago
• ZhaoLongSYSU / PocketDTA
  PocketDTA
  ☆37Updated last week
• zjujdj / InteractionGraphNet
  InteractionGraphNet: a Novel and Efficient Deep Graph Representation Learning Framework for Accurate Protein-Ligand Interaction Predictio…
  ☆47Updated 2 years ago
• BFeng14 / ActFound
  Official implementation for ActFound (Nature Machine Intelligence): A bioactivity foundation model using pairwise meta-learning
  ☆45Updated last year
• Chokyotager / NotYetAnotherNightshade
  Graph variational encoders for drug engineering and potentiation
  ☆30Updated 2 years ago
• OdinZhang / SurfGen
  SurfGen: Learning on Topological Surface and Geometric Structure for 3D Molecular Generation
  ☆69Updated last year
• iipharma / transpharmer-repo
  ☆41Updated 8 months ago
• ziqi92 / Modof
  Molecule Optimization via Fragment-based Generative Models
  ☆42Updated 2 years ago
• MorganCThomas / SMILES-RNN
  Repository for SMILES-based RNNs for reinforcement learning-based de novo molecule generation
  ☆64Updated 3 weeks ago
• SigmaGenX / TamGen
  ☆39Updated 5 months ago
• wzxxxx / Knowledge-based-BERT
  K-BERT for molecular property prediction.
  ☆31Updated 3 years ago
• JU-HuaY / MFR
  ☆10Updated 2 years ago
• ninglab / DiffSMol
  ☆38Updated 4 months ago
• biomed-AI / STAMP-DPI
  ☆31Updated 3 years ago
• j9650 / MedusaGraph
  ☆28Updated 3 years ago
• CSUBioGroup / PGMG
  The official PyTorch implementation of PGMG: A Pharmacophore-Guided Deep Learning Approach for Bioactive Molecule Generation.
  ☆65Updated 2 years ago
• juanniwu / t-SMILES
  ☆37Updated 7 months ago
• DirectMolecularConfGen / DMCG
  ☆60Updated 3 years ago
• CMACH508 / AlphaDrug
  AlphaDrug: Protein Target Specific De Novo Molecular Generation
  ☆40Updated 3 years ago
• CDDLeiden / PCMol
  Multi-target de novo molecular generator conditioned on AlphaFold's latent protein embeddings.
  ☆68Updated 8 months ago
• jiaxianyan / DeltaDock
  ☆27Updated last year
• CSUBioGroup / DTIAM
  A unified framework for predicting drug-target interactions, binding affinities and activation/inhibition mechanisms.
  ☆52Updated 4 months ago