Alternatives and similar repositories for reinvent-memory

Users that are interested in reinvent-memory are comparing it to the libraries listed below

• biomed-AI / DRlinker
  ☆26Updated 3 years ago
• PNNL-CompBio / 3D_Scaffold
  ☆25Updated 3 years ago
• MolecularAI / Lib-INVENT-dataset
  ☆21Updated 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
• tiantz17 / MolSHAP
  Source code for paper "MolSHAP: Interpreting Structure-Activity Relationships for Compound Optimization"
  ☆24Updated 2 years ago
• micahwang / RELATION
  ☆17Updated 3 years ago
• MolecularAI / Lib-INVENT
  ☆59Updated 2 years ago
• deep-scaffold / deep_scaffold
  ☆25Updated 6 years ago
• grisoniFr / scaffold_hopping_whales
  Code to perform scaffold hopping and virtual screening using WHALES descriptors.
  ☆33Updated 4 years ago
• maxime-langevin / scaffold-constrained-generation
  ☆40Updated 5 years ago
• schwallergroup / augmented_memory
  Augmented Memory and Beam Enumeration implementation
  ☆25Updated last year
• jaechanglim / GGM
  graph generative model for molecule
  ☆40Updated 5 years ago
• ChloeKong / RG-MPNN
  ☆18Updated 3 years ago
• m-mokaya / RIOP
  ☆17Updated 2 years ago
• oxpig / DEVELOP
  ☆56Updated last year
• mathcom / COMA
  COMA: Efficient Structure-constrained Molecular Generation using Contractive and Margin losses
  ☆18Updated 2 years ago
• jacquesboitreaud / OptiMol
  Optimization of binding affinities in chemical space for drug discovery
  ☆35Updated 2 years ago
• MorganCThomas / MolScore_examples
  Examples of MolScore implementations
  ☆11Updated last year
• clinfo / SBMolGen
  ☆42Updated 3 years ago
• carlesperez94 / frag_pele
  FragPELE, a new tool for in silico hit-to-lead drug design, capable of growing a fragment into a core while exploring the protein-ligand …
  ☆37Updated 4 years ago
• jkwang93 / ChemistGA
  ☆22Updated 3 years ago
• YanjunLi-CS / dyscore
  Open source code for DyScore
  ☆20Updated 2 years ago
• meddwl / psearch
  3D ligand-based pharmacophore modeling
  ☆52Updated 7 months ago
• YuYaoYang2333 / SyntaLinker
  Automatic Fragment Linking with Deep Conditional Transformer Neural Networks
  ☆56Updated 3 years ago
• giovanni-bolcato / deepFMPOv3D
  Implementation of Shape and Electrostatic similarity metric in deepFMPO.
  ☆45Updated 3 years ago
• mahendra-awale / medchem_moves
  ☆47Updated 5 years ago
• sekijima-lab / mermaid
  ☆12Updated 4 years ago
• ziqi92 / Modof
  Molecule Optimization via Fragment-based Generative Models
  ☆42Updated 2 years ago
• MolecularAI / DockStreamCommunity
  ☆27Updated 2 years ago
• larngroup / DiverseDRL
  ☆12Updated 5 years ago