Alternatives and similar repositories for ADMET_XGBoost

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

• mindrank-ai / PharmaBench
  ☆46Updated last year
• fimrie / DeepCoy
  ☆30Updated last year
• ifyoungnet / ADMETlab
  A platform for systematic ADME evaluation of drug molecules, thereby accelerating the drug discovery process.
  ☆72Updated last year
• zjujdj / InteractionGraphNet
  InteractionGraphNet: a Novel and Efficient Deep Graph Representation Learning Framework for Accurate Protein-Ligand Interaction Predictio…
  ☆46Updated 2 years ago
• viko-3 / TargetGAN
  ☆27Updated 2 years ago
• iipharma / transpharmer-repo
  ☆37Updated 5 months ago
• CSUBioGroup / PGMG
  The official PyTorch implementation of PGMG: A Pharmacophore-Guided Deep Learning Approach for Bioactive Molecule Generation.
  ☆63Updated last year
• grisoniFr / scaffold_hopping_whales
  Code to perform scaffold hopping and virtual screening using WHALES descriptors.
  ☆31Updated 4 years ago
• deep-scaffold / deep_scaffold
  ☆25Updated 5 years ago
• zchwang / DeepRMSD-Vina_Optimization
  DeepRMSD+Vina is a computational framework that integrates ligand binding pose optimization and screening.
  ☆42Updated last year
• Wang-Lin-boop / GeminiMol
  Incorporation of conformational space profile into molecular representation learning, and its application to drug discovery, including vi…
  ☆55Updated last month
• yydiao1025 / MacFrag
  ☆27Updated 2 years ago
• micahwang / RELATION
  ☆17Updated 2 years ago
• oxpig / DEVELOP
  ☆55Updated last year
• clinfo / SBMolGen
  ☆42Updated 3 years ago
• MolecularAI / Lib-INVENT
  ☆56Updated 2 years ago
• coleygroup / del_qsar
  ☆30Updated 3 years ago
• DrugAI / ACNet
  ☆16Updated 3 years ago
• stonewiseAIDrugDesign / Lingo3DMol
  ☆58Updated last year
• wzxxxx / MGA
  MGA
  ☆44Updated 4 years ago
• Chokyotager / NotYetAnotherNightshade
  Graph variational encoders for drug engineering and potentiation
  ☆30Updated 2 years ago
• plainerman / DiffDock-Pocket
  Implementation of DiffDock-Pocket: Diffusion for Pocket-Level Docking with Side Chain Flexibility
  ☆32Updated last year
• MolecularAI / Lib-INVENT-dataset
  ☆20Updated 2 years ago
• Xundrug / MolGpKa
  The graph-convolutional neural network for pka prediction
  ☆82Updated last year
• hnlab / BindingNet
  ☆25Updated last year
• ETHmodlab / dragonfly_gen
  De novo drug design with deep interactome learning
  ☆36Updated 2 months ago
• issararab / CToxPred
  Comprehensive cardiotoxicity prediction tool of small molecules on three targets: hERG, Nav1.5, Cav1.2
  ☆19Updated 11 months ago
• SeonghwanSeo / PharmacoNet
  Official Github for "PharmacoNet: deep learning-guided pharmacophore modeling for ultra-large-scale virtual screening" (Chemical Science)
  ☆76Updated last month
• jenniening / deltaVinaXGB
  This is a machine-learning based protein-ligand scoring function.
  ☆51Updated 4 years ago
• YuYaoYang2333 / SyntaLinker
  Automatic Fragment Linking with Deep Conditional Transformer Neural Networks
  ☆56Updated 3 years ago