Alternatives and similar repositories for scaffold-constrained-generation

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

• biomed-AI / DRlinker
  ☆26Updated 2 years ago
• volkamerlab / maxsmi
  maxsmi: a guide to SMILES augmentation. Find the optimal SMILES augmentation for accurate molecular prediction.
  ☆34Updated last year
• cieplinski-tobiasz / smina-docking-benchmark
  ☆75Updated 3 years ago
• deep-scaffold / deep_scaffold
  ☆25Updated 5 years ago
• jacquesboitreaud / OptiMol
  Optimization of binding affinities in chemical space for drug discovery
  ☆35Updated 2 years ago
• jaechanglim / GGM
  graph generative model for molecule
  ☆40Updated 5 years ago
• MolecularAI / Lib-INVENT-dataset
  ☆21Updated 2 years ago
• fimrie / DeLinker
  ☆38Updated 4 years ago
• Hyunseung-Kim / molGCT
  ☆26Updated last year
• m-mokaya / RIOP
  ☆17Updated 2 years ago
• oxpig / DEVELOP
  ☆55Updated last year
• ziqi92 / Modof
  Molecule Optimization via Fragment-based Generative Models
  ☆42Updated 2 years ago
• liutairan / eMolFrag
  eMolFrag is a molecular fragmentation tool based on BRICS algorithm written in Python.
  ☆49Updated 5 years ago
• illidanlab / MolSearch
  Implementation of MolSearch paper
  ☆22Updated 2 years ago
• YuYaoYang2333 / SyntaLinker
  Automatic Fragment Linking with Deep Conditional Transformer Neural Networks
  ☆56Updated 3 years ago
• ChloeKong / RG-MPNN
  ☆18Updated 3 years ago
• ETHmodlab / BIMODAL
  Supporting code for the paper "Bidirectional Molecule Generation with Recurrent Neural Networks" (J. Chem. Inf. 2020, 60, 3).
  ☆53Updated 5 years ago
• aivant / ShapeLinker
  ☆24Updated last year
• mathcom / COMA
  COMA: Efficient Structure-constrained Molecular Generation using Contractive and Margin losses
  ☆18Updated last year
• MolecularAI / DockStreamCommunity
  ☆26Updated 2 years ago
• mahendra-awale / medchem_moves
  ☆47Updated 5 years ago
• tblaschke / reinvent-memory
  Code for memory-assisted reinforcement learning
  ☆23Updated 5 years ago
• HankerWu / TamGent
  Tailoring Molecules for Protein Pockets: a Transformer-based Generative Solution for Structured-based Drug Design
  ☆20Updated 2 years ago
• moyiming1 / Retrosynthesis-pathway-ranking
  ☆22Updated 4 years ago
• jkwang93 / ChemistGA
  ☆23Updated 3 years ago
• MolecularAI / Lib-INVENT
  ☆58Updated 2 years ago
• DS3Lab / RosENet
  ☆37Updated 4 years ago
• biomed-AI / DiffDec
  ☆38Updated last year
• openkinome / kinodata
  Collection of scripts / notebooks to reliably select datasets
  ☆29Updated last year
• RekerLab / DeepDelta
  DeepDelta is a pairwise deep learning approach based on Chemprop that processes two molecules simultaneously and learns to predict proper…
  ☆46Updated last year