ziqi92 / Modof

Related projects ⓘ

Alternatives and complementary repositories for Modof

• ninglab / Modof
  The implementation of Modof for Molecule Optimization
  ☆27Updated last year
• HaotianZhangAI4Science / SDEGen
  ☆21Updated last year
• CMACH508 / KGDiff
  Towards Explainable Target-Aware Molecule Generation with Knowledge Guidance
  ☆29Updated 9 months ago
• DirectMolecularConfGen / DMCG
  ☆48Updated 2 years ago
• guaguabujianle / GIGN
  ☆35Updated last year
• anny0316 / GEOM-CVAE
  ☆14Updated 3 years ago
• mindrank-ai / PharmaBench
  ☆24Updated 7 months ago
• zaixizhang / DrugGPS_ICML23
  Implementation of ICML23 paper "Learning Subpocket Prototypes for Generalizable Structure-based Drug Design"
  ☆27Updated 8 months ago
• jkwang93 / ChemistGA
  ☆24Updated 2 years ago
• Hyunseung-Kim / molGCT
  ☆24Updated 9 months ago
• sun-heqi / MultiPPIMI
  A deep learning framework for predicting interactions between protein-protein interaction targets and modulators
  ☆11Updated 11 months ago
• zjujdj / InteractionGraphNet
  InteractionGraphNet: a Novel and Efficient Deep Graph Representation Learning Framework for Accurate Protein-Ligand Interaction Predictio…
  ☆43Updated last year
• micahwang / RELATION
  ☆15Updated last year
• MolecularAI / Lib-INVENT-dataset
  ☆18Updated last year
• DeepLearningPS / EcConf
  EC-Conf: An Ultra-fast Diffusion Model for Molecular conformation Generation with Equivariant Consistency
  ☆11Updated 7 months ago
• admislf / MINN-DTI
  Effective drug-target interaction prediction with mutual interaction neural network
  ☆30Updated 2 years ago
• longlongman / DESERT
  Zero-Shot 3D Drug Design by Sketching and Generating (NeurIPS 2022)
  ☆32Updated 2 years ago
• j9650 / MedusaGraph
  ☆29Updated 2 years ago
• pfizer-opensource / transform-molecules
  ☆16Updated last year
• Chokyotager / NotYetAnotherNightshade
  Graph variational encoders for drug engineering and potentiation
  ☆25Updated last year
• Brian-hongyan / 3D-MCTS
  3D-MCTS: A general structure-based molecule generation method with MCTS.
  ☆39Updated 4 months ago
• CSUBioGroup / PGMG
  The official PyTorch implementation of PGMG: A Pharmacophore-Guided Deep Learning Approach for Bioactive Molecule Generation.
  ☆54Updated 11 months ago
• knu-lcbc / RetroTRAE
  Retrosynthetic prediction with Atom Environments
  ☆37Updated last year
• HaotianZhangAI4Science / ResGen
  3D_Molecular_Generation
  ☆75Updated last year
• zaixizhang / FLAG
  Implementation of ICLR23 paper "Molecule Generation for Target Protein Binding with Structural Motifs"
  ☆60Updated 6 months ago
• luost26 / ChemProjector
  Projecting Molecules into Synthesizable Chemical Spaces (ICML 2024)
  ☆27Updated last week
• coleygroup / Graph2SMILES
  ☆52Updated last year
• Xundrug / MolGpKa
  The graph-convolutional neural network for pka prediction
  ☆63Updated 9 months ago
• JU-HuaY / MFR
  ☆10Updated last year
• oxpig / DEVELOP
  ☆56Updated 7 months ago