Alternatives and similar repositories for DTI_PDBbind

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

• jaechanglim / GGM
  graph generative model for molecule
  ☆39Updated 5 years ago
• ziqi92 / Modof
  Molecule Optimization via Fragment-based Generative Models
  ☆42Updated 2 years ago
• zaixizhang / DrugGPS_ICML23
  Implementation of ICML23 paper "Learning Subpocket Prototypes for Generalizable Structure-based Drug Design"
  ☆29Updated last year
• oxpig / DEVELOP
  ☆56Updated last year
• maxime-langevin / scaffold-constrained-generation
  ☆37Updated 4 years ago
• wyji001 / Point-Cloud
  ☆21Updated 3 years ago
• DirectMolecularConfGen / DMCG
  ☆55Updated 2 years ago
• ecust-hc / ScaffoldGVAE
  ScaffoldGVAE: A Variational Autoencoder Based on Multi-View Graph Neural Networks for Scaffold Generation and Scaffold Hopping of Drug Mo…
  ☆40Updated last year
• DS3Lab / RosENet
  ☆37Updated 4 years ago
• deep-scaffold / deep_scaffold
  ☆25Updated 5 years ago
• Genentech / Voxbind
  ☆24Updated 11 months ago
• pengxingang / MolDiff
  MolDiff: Addressing the Atom-Bond Inconsistency Problem in 3D Molecule Diffusion Generation
  ☆58Updated 10 months ago
• jaechanglim / GNN_DTI
  ☆67Updated 4 years ago
• keiradams / SQUID
  Official implementation of "Equivariant Shape-Conditioned Generation of 3D Molecules for Ligand-Based Drug Design"
  ☆64Updated 6 months ago
• zaixizhang / FLAG
  Implementation of ICLR23 paper "Molecule Generation for Target Protein Binding with Structural Motifs"
  ☆66Updated last year
• OdinZhang / SDEGen
  ☆22Updated last year
• qiangbo1222 / HierDiff
  Implementation of ICML2023 paper : Coarse-to-Fine: a Hierarchical Diffusion Model for Molecule Generation in 3D
  ☆46Updated last year
• wsjeon92 / morld
  ☆28Updated last year
• phermosilla / IEConv_proteins
  Intrinsic-Extrinsic Convolution and Pooling for Learning on 3D Protein Structures
  ☆47Updated 3 years ago
• AITRICS / FREED
  Fragment-based generative RL with Explorative Experience replay for Drug design (FREED)
  ☆53Updated 3 years ago
• YinanHuang / 3DLinker
  An E(3) Equivariant Variational Autoencoder for Molecular Linker Design
  ☆47Updated 2 years ago
• MolecularAI / Lib-INVENT
  ☆56Updated 2 years ago
• coleygroup / shepherd
  Training and inference code for ShEPhERD: Diffusing shape, electrostatics, and pharmacophores for bioisosteric drug design [ICLR 2025 ora…
  ☆67Updated this week
• YangLing0818 / IPDiff
  [ICLR 2024] Protein-Ligand Interaction Prior for Binding-aware 3D Molecule Diffusion Models
  ☆43Updated 9 months ago
• jacquesboitreaud / OptiMol
  Optimization of binding affinities in chemical space for drug discovery
  ☆36Updated 2 years ago
• ACE-KAIST / PIGNet
  PIGNet source code
  ☆51Updated 3 years ago
• chao1224 / GeoSSL
  GeoSSL: Molecular Geometry Pretraining with SE(3)-Invariant Denoising Distance Matching, ICLR'23 (https://openreview.net/forum?id=CjTHVo1…
  ☆45Updated last year
• oxpig / DeLinker
  ☆125Updated 2 years ago
• ETHmodlab / virtual_libraries
  Supporting code for the paper «Generative molecular design in low data regimes»
  ☆64Updated 3 years ago
• jkwang93 / ChemistGA
  ☆24Updated 2 years ago