Alternatives and similar repositories for RG-MPNN

Users that are interested in RG-MPNN are comparing it to the libraries listed below

• MolecularAI / Lib-INVENT-dataset
  ☆22Updated 2 years ago
• pfnet-research / RJT-RL
  RJT-RL: De novo molecular design using a Reversible Junction Tree and Reinforcement Learning
  ☆24Updated 3 years ago
• tblaschke / reinvent-memory
  Code for memory-assisted reinforcement learning
  ☆24Updated 5 years ago
• sekijima-lab / mermaid
  ☆11Updated 4 years ago
• maxime-langevin / scaffold-constrained-generation
  ☆41Updated 5 years ago
• kimeguida / ProCare
  ProCare: A Point Cloud Registration Approach to Align Protein Cavities
  ☆30Updated 3 years ago
• biomed-AI / DRlinker
  ☆26Updated 3 years ago
• mathcom / COMA
  COMA: Efficient Structure-constrained Molecular Generation using Contractive and Margin losses
  ☆18Updated 2 years ago
• MolecularAI / DockStreamCommunity
  ☆28Updated 2 years ago
• micahwang / RELATION
  ☆17Updated 3 years ago
• molinfo-vienna / apo2ph4
  A versatile workflow for the generation of receptor-based pharmacophore models for virtual screening
  ☆32Updated 8 months ago
• volkamerlab / kissim_app
  Kinome-wide structural pocket similarity
  ☆10Updated 3 years ago
• Hyunseung-Kim / molGCT
  ☆26Updated 2 years ago
• PNNL-CompBio / 3D_Scaffold
  ☆25Updated 3 years ago
• mahendra-awale / medchem_moves
  ☆49Updated 5 years ago
• larngroup / DiverseDRL
  ☆12Updated 5 years ago
• deep-scaffold / deep_scaffold
  ☆26Updated 6 years ago
• MarcMoesser / Protein-Ligand-Interaction-Graphs
  ☆39Updated 2 years ago
• MorganCThomas / MolScore_examples
  Examples of MolScore implementations
  ☆11Updated last year
• jacquesboitreaud / OptiMol
  Optimization of binding affinities in chemical space for drug discovery
  ☆35Updated 3 years ago
• oxpig / DEVELOP
  ☆57Updated last year
• DrugAI / ACNet
  ☆17Updated 3 years ago
• YanjunLi-CS / dyscore
  Open source code for DyScore
  ☆20Updated 3 years ago
• m-mokaya / RIOP
  ☆18Updated 2 years ago
• molML / traversing_chem_space
  Small molecules discovery with different active deep learning strategies. Codebase for the paper: "Traversing chemical space with active …
  ☆28Updated last year
• Brian-hongyan / 3D-MCTS
  3D-MCTS: A general structure-based molecule generation method with MCTS.
  ☆45Updated last year
• j9650 / MedusaGraph
  ☆28Updated 3 years ago
• schwallergroup / augmented_memory
  Augmented Memory and Beam Enumeration implementation
  ☆25Updated last year
• HelloJocelynLu / EFGs
  A simple molecule fragmentation method.
  ☆41Updated 2 years ago
• hnlab / BindingNet
  ☆26Updated last year