Alternatives and similar repositories for MMGX

Users that are interested in MMGX are comparing it to the libraries listed below

• toshikiochiai / NPVAE
  ☆28Updated 2 years ago
• micahwang / RELATION
  ☆17Updated 3 years ago
• tiantz17 / MolSHAP
  Source code for paper "MolSHAP: Interpreting Structure-Activity Relationships for Compound Optimization"
  ☆24Updated 2 years ago
• MolecularAI / DockStreamCommunity
  ☆28Updated 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
• SongXia-NYU / DiffDock-NMDN
  ☆17Updated last year
• Shihang-Wang-58 / DeepSA
  A Deep-learning Driven Predictor of Compound Synthesis Accessibility
  ☆39Updated 7 months ago
• Bayer-Group / xsmiles
  Visualize atom and non-atom attributions and SMILES strings
  ☆50Updated 2 years ago
• cbi-society / cheminfo_tutorial_20241028_pub
  ☆40Updated last year
• iipharma / transpharmer-repo
  ☆41Updated 10 months ago
• molML / RUSH
  Official implementation of RuSH (Scaffold Hopping with Generative Reinforcement Learning). Includes ScaffoldFinder algorithm for 2D decor…
  ☆19Updated 11 months ago
• MolecularAI / Lib-INVENT-dataset
  ☆22Updated 2 years ago
• grzsko / ASAP
  ☆15Updated 3 years ago
• biomed-AI / DRlinker
  ☆26Updated 3 years ago
• sekijima-lab / DiffInt
  ☆20Updated 8 months ago
• snu-lcbc / atom-in-SMILES
  Atom-in-SMILES tokenizer for SMILES strings.
  ☆42Updated last year
• LIT-CCM-lab / SpaceDock
  ☆18Updated last year
• DrugAI / ACNet
  ☆17Updated 3 years ago
• MorganCThomas / MolScore_examples
  Examples of MolScore implementations
  ☆11Updated last year
• ACE-KAIST / DeepICL
  Official Github for "3D Molecular Generative Framework for Interaction-guided Drug Design" (Nature Communications)
  ☆65Updated last year
• THGLab / SynLlama
  Code Space of SynLlama
  ☆42Updated last month
• grisoniFr / scaffold_hopping_whales
  Code to perform scaffold hopping and virtual screening using WHALES descriptors.
  ☆33Updated 5 years ago
• monterosatx / molecular-surface-mining
  Code used to mine surfaces.
  ☆28Updated 11 months ago
• keiserlab / autoparty
  ML-guided visual inspection for molecular docking
  ☆21Updated 7 months ago
• MolecularAI / Lib-INVENT
  ☆64Updated 2 years ago
• tiantz17 / CARA
  Benchmarking compound activity prediction for real-world drug discovery applications
  ☆14Updated last year
• hnlab / BindingNet
  ☆26Updated last year
• schwallergroup / augmented_memory
  Augmented Memory and Beam Enumeration implementation
  ☆25Updated last year
• coleygroup / shepherd-score
  Interaction profile extraction, scoring, alignment and evaluation of ShEPhERD. [ICLR 2025]
  ☆32Updated this week
• molecularinformatics / roshambo2
  ☆41Updated 2 weeks ago