Alternatives and similar repositories for DeepDTAGen

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

• HongxinXiang / VideoMol
  A Molecular Video-derived Foundation Model for Scientific Drug Discovery (Nature Communications 2024)
  ☆23Updated last year
• yonghanyu / DeepSearch
  ☆21Updated 10 months ago
• biomed-AI / PROTAC-RL
  ☆65Updated 3 years ago
• AspirinCode / GENiPPI
  Interface-aware molecular generative framework for protein-protein interaction modulators
  ☆18Updated last year
• CSUBioGroup / GraphscoreDTA
  A novel graph neural network strategy with the Vina distance optimization terms to predict protein-ligand binding affinity
  ☆31Updated last year
• CyberCatQ / pyCADD
  A python package for computer-aid drug design.
  ☆42Updated 2 months ago
• Fenglei104 / DeepPROTACs
  ☆58Updated 2 years ago
• gaoqiweng / PROTAC-Model
  Integrative modeling of PROTAC-mediated ternary complex
  ☆28Updated 3 years ago
• CMACH508 / AlphaDrug
  AlphaDrug: Protein Target Specific De Novo Molecular Generation
  ☆40Updated 3 years ago
• CSUBioGroup / BACPI
  A bi-directional attention neural network for compound–protein interaction and binding affinity prediction.
  ☆33Updated 3 years ago
• viko-3 / TargetGAN
  ☆28Updated 2 years ago
• chembl / compound_target_pairs_dataset
  Automatic extraction of interacting compound-target pairs from ChEMBL.
  ☆21Updated 4 months ago
• ZhaoLongSYSU / PocketDTA
  PocketDTA
  ☆37Updated 2 months ago
• zjujdj / MetalProGNet
  ☆13Updated last year
• CAODH / EquiScore
  ☆82Updated 2 years ago
• shukai1997 / VSDS-VD
  benchmarking AI-powered docking methods from the perspective of virtual screening
  ☆32Updated last year
• idrugLab / FP-GNN_CYP
  ☆17Updated 3 years ago
• CSUBioGroup / DTIAM
  A unified framework for predicting drug-target interactions, binding affinities and activation/inhibition mechanisms.
  ☆53Updated 6 months ago
• ninglab / DiffSMol
  ☆43Updated 6 months ago
• MolecularAI / Lib-INVENT-dataset
  ☆22Updated 2 years ago
• kimeguida / POEM
  Pocket-Oriented Elaboration of Molecules: application to CDK8 inhibition
  ☆14Updated 3 years ago
• zqfang / drugai
  Graph Neural Networks for Drug Efficacy Prediction
  ☆11Updated 3 years ago
• prokia / deepHops
  source code for deppHop
  ☆37Updated 3 years ago
• dfwlab / cyclicpeptide
  ☆26Updated 10 months ago
• Chokyotager / NotYetAnotherNightshade
  Graph variational encoders for drug engineering and potentiation
  ☆30Updated 2 years ago
• jamesgleave / Deep-Docking-NonAutomated
  ☆52Updated 3 years ago
• Wang-Lin-boop / GeminiMol
  Incorporation of conformational space profile into molecular representation learning, and its application to drug discovery, including vi…
  ☆66Updated 6 months ago
• coleygroup / desp
  Double-Ended Synthesis Planning with Goal-Constrained Bidirectional Search (NeurIPS 2024)
  ☆29Updated last year
• dzjxzyd / UniDL4BioPep
  webserver
  ☆26Updated 7 months ago
• sun-heqi / MultiPPIMI
  A deep learning framework for predicting interactions between protein-protein interaction targets and modulators
  ☆14Updated 2 years ago