Alternatives and similar repositories for exahustive_search_mol2mol

Users that are interested in exahustive_search_mol2mol are comparing it to the libraries listed below

• aivant / ShapeLinker
  ☆23Updated 11 months ago
• yasminenahal / hitl-al-gomg
  Active learning workflow to train and fine-tune molecular property predictors with chemist feedback for goal-oriented molecule generation…
  ☆14Updated 3 weeks ago
• schwallergroup / augmented_memory
  Augmented Memory and Beam Enumeration implementation
  ☆24Updated 11 months ago
• HySonLab / Ligand_Generation
  Target-aware Variational Auto-encoders for Ligand Generation with Multimodal Protein Representation Learning
  ☆30Updated last year
• VicFisher / DiffPhore
  Knowledge-Guided Diffusion Model for 3D Ligand-Pharmacophore Mapping
  ☆33Updated 3 weeks ago
• molML / traversing_chem_space
  ☆22Updated 9 months ago
• ci-lab-cz / crem-dock
  CReM-dock: generation of chemically reasonable molecules guided by molecular docking
  ☆24Updated last month
• oxpig / MolSnapper
  ☆43Updated last week
• MolecularAI / maize-contrib
  Contributed and additional nodes for maize
  ☆14Updated last month
• biomed-AI / DiffDec
  ☆33Updated 10 months ago
• oxpig / Fragmenstein
  Merging, linking and placing compounds by stitching bound compounds together like a reanimated corpse
  ☆13Updated last year
• THGLab / SynLlama
  The authors are still wrapping up the code space. More updates will come soon!
  ☆15Updated last month
• molinfo-vienna / apo2ph4
  A versatile workflow for the generation of receptor-based pharmacophore models for virtual screening
  ☆25Updated last month
• biomed-AI / DRlinker
  ☆24Updated 2 years ago
• zhangruochi / MolFeSCue
  ☆11Updated 11 months ago
• Brian-hongyan / DeepCoSI
  DeepCoSI: a Structure-based Deep Graph Learning Network Method for Covalent Binding Site Identification.
  ☆12Updated last year
• yydiao1025 / MacFrag
  ☆26Updated 2 years ago
• coleygroup / shepherd-score
  Interaction profile extraction, scoring, alignment and evaluation of ShEPhERD. [ICLR 2025]
  ☆21Updated 3 months ago
• compsciencelab / PromptSMILES
  Scaffold decoration and fragment linking with chemical language models and RL
  ☆25Updated last month
• uibcdf / PyPharmer
  Python API for Pharmer
  ☆12Updated 5 years ago
• sekijima-lab / DiffInt
  ☆17Updated 9 months ago
• Laboratoire-de-Chemoinformatique / hyfactor
  Official code for the publication "HyFactor: Hydrogen-count labelled graph-based defactorization Autoencoder".
  ☆18Updated 2 years ago
• RekerLab / DeepDelta
  DeepDelta is a pairwise deep learning approach based on Chemprop that processes two molecules simultaneously and learns to predict proper…
  ☆47Updated last year
• keiserlab / autofragdiff
  Autoregressive fragment-based diffusion for target-aware ligand design
  ☆29Updated 11 months ago
• hnlab / BindingNet
  ☆25Updated 10 months ago
• litfsindt / LIT-SpaceDock
  ☆16Updated 10 months ago
• juanniwu / t-SMILES
  ☆33Updated last month
• MolecularAI / Lib-INVENT-dataset
  ☆20Updated 2 years ago
• joewah / PheSAExamples
  ☆11Updated 10 months ago
• Academich / reagents
  Reagent prediction with Molecular Transformer. Improvement of data for reaction product prediction in a self-supervised fashion.
  ☆24Updated 7 months ago