Alternatives and similar repositories for transform-molecules

Users that are interested in transform-molecules are comparing it to the libraries listed below

• MolecularAI / DockStreamCommunity
  ☆26Updated 2 years ago
• micahwang / RELATION
  ☆17Updated 2 years ago
• MolecularAI / Lib-INVENT-dataset
  ☆20Updated 2 years ago
• Zhang-Runze / PackDock
  PackDock: a Diffusion Based Side Chain Packing Model for Flexible Protein-Ligand Docking
  ☆34Updated 8 months ago
• iipharma / transpharmer-repo
  ☆36Updated 3 months ago
• yydiao1025 / MacFrag
  ☆26Updated 2 years ago
• tiantz17 / MolSHAP
  Source code for paper "MolSHAP: Interpreting Structure-Activity Relationships for Compound Optimization"
  ☆24Updated last year
• hnlab / BindingNet
  ☆25Updated 11 months ago
• DrugAI / ACNet
  ☆15Updated 3 years ago
• biomed-AI / DRlinker
  ☆25Updated 2 years ago
• molML / traversing_chem_space
  ☆23Updated 10 months ago
• oxpig / MolSnapper
  ☆48Updated last month
• MatthewMasters / EDM-Dock
  ☆32Updated 2 years ago
• chembl / compound_target_pairs_dataset
  Automatic extraction of interacting compound-target pairs from ChEMBL.
  ☆15Updated 3 weeks ago
• j9650 / MedusaGraph
  ☆28Updated 2 years ago
• tiantz17 / CARA
  Benchmarking compound activity prediction for real-world drug discovery applications
  ☆12Updated last year
• giaguaro / PROTACable
  PROTACable is an end-to-end in-silico design toolkit for novel PROTACs
  ☆29Updated last year
• batistagroup / DirectMultiStep
  DirectMultiStep: Direct Route Generation for Multistep Retrosynthesis
  ☆19Updated last month
• molinfo-vienna / apo2ph4
  A versatile workflow for the generation of receptor-based pharmacophore models for virtual screening
  ☆27Updated last month
• VicFisher / DiffPhore
  Knowledge-Guided Diffusion Model for 3D Ligand-Pharmacophore Mapping
  ☆34Updated 2 weeks ago
• schwallergroup / augmented_memory
  Augmented Memory and Beam Enumeration implementation
  ☆24Updated last year
• OdinZhang / FragGen
  This Code is for Fragment-wise 3D Structure-based Molecular Generation with Reliable Geometry
  ☆25Updated 3 months ago
• luoyunan / KDBNet
  Kinase–drug binding prediction with calibrated uncertainty quantification
  ☆23Updated last year
• akiyamalab / cycpeptmp
  Implementation of CycPeptMP, an accurate and efficient model for predicting the membrane permeability of cyclic peptides
  ☆22Updated last month
• deep-scaffold / deep_scaffold
  ☆26Updated 5 years ago
• jkwang93 / ChemistGA
  ☆24Updated 2 years ago
• ashipiling / GPT_3DSMILES
  ☆27Updated 5 months ago
• JenniferKim09 / FFLOM
  ☆15Updated last year
• Fenglei104 / DiffPROTACs
  ☆18Updated 11 months ago
• BioinfoMachineLearning / GCDM-SBDD
  A geometry-complete diffusion generative model (GCDM) for structure-based drug design (Nature CommsChem)
  ☆18Updated 7 months ago