Alternatives and similar repositories for molecule-generation

Users that are interested in molecule-generation are comparing it to the libraries listed below

• MolecularAI / DockStreamCommunity
  ☆26Updated 2 years ago
• tiantz17 / MolSHAP
  Source code for paper "MolSHAP: Interpreting Structure-Activity Relationships for Compound Optimization"
  ☆24Updated last year
• vfscalfani / CSN_tutorial
  Jupyter Notebook Tutorials for Creating Chemical Space Networks
  ☆34Updated last year
• Laboratoire-de-Chemoinformatique / Reaction_Data_Cleaning
  Chemical reaction data cleaning
  ☆30Updated 3 years ago
• yanfeiguan / reactivity_predictions_substitution
  Platforms to predict reactivity for substitution reactions.
  ☆20Updated 4 years ago
• micahwang / RELATION
  ☆16Updated 2 years ago
• qiangbo1222 / Uni-RXN-official
  ☆27Updated last year
• MolecularAI / Lib-INVENT-dataset
  ☆20Updated 2 years ago
• silicos-it / qed
  The QED (Quantitative Estimation of Drug-likeness) molecular descriptor to use in combination with RDKit
  ☆14Updated 2 years ago
• Academich / reagents
  Reagent prediction with Molecular Transformer. Improvement of data for reaction product prediction in a self-supervised fashion.
  ☆24Updated 6 months ago
• lich-uct / syba
  Synthetic Bayesian Classification
  ☆42Updated 4 years ago
• SeonghwanSeo / DeepDL
  Official github for "Drug-likeness scoring based on unsupervised learning" (Chemical Science)
  ☆19Updated 3 weeks ago
• oxpig / DEVELOP
  ☆55Updated last year
• rdkit / PREFER
  ☆28Updated last year
• biomed-AI / DRlinker
  ☆24Updated 2 years ago
• Brian-hongyan / 3D-MCTS
  3D-MCTS: A general structure-based molecule generation method with MCTS.
  ☆42Updated 10 months ago
• jkwang93 / ChemistGA
  ☆24Updated 2 years ago
• adalke / mmpdb
  A package to identify matched molecular pairs and use them to predict property changes.
  ☆24Updated last year
• MolecularAI / Lib-INVENT
  ☆56Updated 2 years ago
• ChloeKong / RG-MPNN
  ☆17Updated 2 years ago
• pgniewko / solubility
  My (small) research project in solubility of drug-like molecules
  ☆18Updated 4 years ago
• RPirie96 / RGMolSA
  ☆34Updated last year
• m-mokaya / RIOP
  ☆17Updated 2 years ago
• deep-scaffold / deep_scaffold
  ☆25Updated 5 years ago
• sekijima-lab / mermaid
  ☆13Updated 3 years ago
• mathcom / COMA
  COMA: Efficient Structure-constrained Molecular Generation using Contractive and Margin losses
  ☆18Updated last year
• jeah-z / IFP-RNN
  A molecule generative model used interaction fingerprint (docking pose) as constraints.
  ☆14Updated 3 years ago
• litfsindt / LIT-SpaceDock
  ☆16Updated 10 months ago
• mahendra-awale / medchem_moves
  ☆45Updated 4 years ago
• gaoqiweng / PROTAC-Model
  Integrative modeling of PROTAC-mediated ternary complex
  ☆26Updated 3 years ago