Alternatives and similar repositories for MMGX

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

• tiantz17 / CARA
  Benchmarking compound activity prediction for real-world drug discovery applications
  ☆12Updated last year
• tiantz17 / MolSHAP
  Source code for paper "MolSHAP: Interpreting Structure-Activity Relationships for Compound Optimization"
  ☆24Updated last year
• keiserlab / autoparty
  ML-guided visual inspection for molecular docking
  ☆16Updated this week
• micahwang / RELATION
  ☆17Updated 2 years ago
• IDEA-XL / LigUnity
  Official implementation for paper: A foundation model for protein-ligand affinity prediction through Jointly optimizing virtual screening…
  ☆18Updated last week
• toshikiochiai / NPVAE
  ☆21Updated last year
• zhangruochi / MolFeSCue
  ☆12Updated last year
• SongXia-NYU / DiffDock-NMDN
  ☆13Updated 7 months ago
• MolecularAI / DockStreamCommunity
  ☆26Updated 2 years ago
• sekijima-lab / DiffInt
  ☆17Updated last week
• molML / traversing_chem_space
  ☆22Updated 9 months ago
• iipharma / transpharmer-repo
  ☆35Updated 2 months ago
• oxpig / MolSnapper
  ☆45Updated 3 weeks ago
• vtarasv / pocket-cfdm
  Augmenting a training dataset of the generative diffusion model for molecular docking with artificial binding pockets
  ☆10Updated last year
• MorganCThomas / MolScore_examples
  Examples of MolScore implementations
  ☆9Updated last year
• molinfo-vienna / apo2ph4
  A versatile workflow for the generation of receptor-based pharmacophore models for virtual screening
  ☆26Updated 2 weeks ago
• sekijima-lab / mermaid
  ☆13Updated 3 years ago
• ohuelab / QEPPI
  Quantitative Estimate Index for Early-Stage Screening of Compounds Targeting Protein-Protein Interactions
  ☆18Updated last year
• WIMNZhao / AIR
  AI-augmented R-group exploration in medicinal chemistry
  ☆17Updated 8 months ago
• keiserlab / autofragdiff
  Autoregressive fragment-based diffusion for target-aware ligand design
  ☆29Updated last year
• VicFisher / DiffPhore
  Knowledge-Guided Diffusion Model for 3D Ligand-Pharmacophore Mapping
  ☆34Updated last month
• joewah / PheSAExamples
  ☆11Updated 11 months ago
• MolecularAI / Lib-INVENT-dataset
  ☆20Updated 2 years ago
• chembl / compound_target_pairs_dataset
  Automatic extraction of interacting compound-target pairs from ChEMBL.
  ☆15Updated last year
• uibcdf / PyPharmer
  Python API for Pharmer
  ☆12Updated 5 years ago
• i-TripleD / iScore
  Implementation of the Paper "iScore: A ML-Based Scoring Function for de novo Drug Discovery" by S.J. Mahdizadeh, and L.A. Eriksson (https…
  ☆15Updated 11 months ago
• rareylab / InteractionDrawer
  InteractionDrawer is a JavaScript library for the drawing of highly interactive 2D ligand interaction diagrams.
  ☆22Updated last year
• litfsindt / LIT-SpaceDock
  ☆16Updated 11 months ago
• hnlab / BindingNet
  ☆25Updated 11 months ago
• OdinZhang / FragGen
  This Code is for Fragment-wise 3D Structure-based Molecular Generation with Reliable Geometry
  ☆25Updated 2 months ago