Nanotekton / drugability

Related projects ⓘ

Alternatives and complementary repositories for drugability

• Coughy1991 / Reaction_condition_recommendation
  Code for training machine learning model for reaction condition prediction
  ☆37Updated 4 years ago
• deep-scaffold / deep_scaffold
  ☆25Updated 4 years ago
• jaechanglim / GGM
  graph generative model for molecule
  ☆37Updated 4 years ago
• SeonghwanSeo / DeepDL
  Official github for "Drug-likeness scoring based on unsupervised learning" (Chemical Science)
  ☆19Updated 10 months ago
• knu-lcbc / RetroTRAE
  Retrosynthetic prediction with Atom Environments
  ☆37Updated last year
• mathcom / COMA
  COMA: Efficient Structure-constrained Molecular Generation using Contractive and Margin losses
  ☆18Updated last year
• wsjeon92 / FP2VEC
  ☆17Updated 4 years ago
• ETHmodlab / BIMODAL
  Supporting code for the paper "Bidirectional Molecule Generation with Recurrent Neural Networks" (J. Chem. Inf. 2020, 60, 3).
  ☆53Updated 4 years ago
• wzxxxx / MGA
  MGA
  ☆42Updated 3 years ago
• Hyunseung-Kim / molGCT
  ☆24Updated 9 months ago
• coleygroup / del_qsar
  ☆30Updated 2 years ago
• hskang0906 / DTI-Prediction
  Drug-Target Interactive Prediction Model using ChemBERTa and ProtBert
  ☆12Updated 3 weeks ago
• MolecularAI / Lib-INVENT
  ☆55Updated last year
• jacquesboitreaud / OptiMol
  Optimization of binding affinities in chemical space for drug discovery
  ☆36Updated last year
• tiantz17 / MolSHAP
  Source code for paper "MolSHAP: Interpreting Structure-Activity Relationships for Compound Optimization"
  ☆21Updated last year
• grisoniFr / scaffold_hopping_whales
  Code to perform scaffold hopping and virtual screening using WHALES descriptors.
  ☆31Updated 3 years ago
• MorganCThomas / SMILES-RNN
  Repository for SMILES-based RNNs for reinforcement learning-based de novo molecule generation
  ☆38Updated last week
• MolecularAI / Lib-INVENT-dataset
  ☆18Updated last year
• larngroup / GAN-Drug-Generator
  Generative Adversarial Network: Optimization in Targeted Design
  ☆12Updated 2 years ago
• mindrank-ai / PharmaBench
  ☆24Updated 7 months ago
• bigchem / retrosynthesis
  Applying deep neural networks for retrosynthesis tasks
  ☆35Updated 4 years ago
• Xundrug / MolGpKa
  The graph-convolutional neural network for pka prediction
  ☆64Updated 10 months ago
• jaechanglim / DTI_PDBbind
  ☆32Updated 2 years ago
• oxpig / DEVELOP
  ☆56Updated 8 months ago
• clinfo / SBMolGen
  ☆43Updated 2 years ago
• kotori-y / pySmash
  Smash molecule and obtain significant fragments
  ☆17Updated 3 years ago
• kotori-y / Scopy
  An integrated negative design python library for desirable HTS/VS database design
  ☆43Updated last year
• ifyoungnet / ADMETlab
  A platform for systematic ADME evaluation of drug molecules, thereby accelerating the drug discovery process.
  ☆60Updated 4 months ago
• XinhaoLi74 / MolPMoFiT
  ☆45Updated 2 years ago
• ziqi92 / Modof
  Molecule Optimization via Fragment-based Generative Models
  ☆39Updated last year