Alternatives and similar repositories for retrosynthesis_bot

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

• RPirie96 / RGMolSA
  ☆35Updated last year
• grzsko / ASAP
  ☆15Updated 2 years ago
• lich-uct / syba
  Synthetic Bayesian Classification
  ☆48Updated 5 years ago
• wolberlab / dynophores
  Dynamic pharmacophore modeling of molecular interactions
  ☆38Updated last year
• Laboratoire-de-Chemoinformatique / Synt-On
  Open-source tool for synthons-based library design.
  ☆85Updated last year
• ljmartin / d4-rescore
  Re-scoring a set of docked ligands with off-the-shelf algorithms to assess utility in virtual screening
  ☆11Updated 4 years ago
• TuomoKalliokoski / HASTEN
  Machine Learning Boosted Docking (HASTEN): Accelerate Structure-based Virtual Screening
  ☆39Updated 2 years ago
• Coughy1991 / Reaction_condition_recommendation
  Code for training machine learning model for reaction condition prediction
  ☆47Updated 5 years ago
• PatWalters / practicalcheminformatics
  ☆27Updated 4 years ago
• MolecularAI / aizynthtrain
  Tools to train synthesis prediction models
  ☆29Updated last year
• mahendra-awale / medchem_moves
  ☆47Updated 5 years ago
• giovanni-bolcato / deepFMPOv3D
  Implementation of Shape and Electrostatic similarity metric in deepFMPO.
  ☆45Updated 3 years ago
• MorganCThomas / MolScore_examples
  Examples of MolScore implementations
  ☆11Updated last year
• MolecularAI / DockStreamCommunity
  ☆28Updated 2 years ago
• ci-lab-cz / crem-dock
  CReM-dock: generation of chemically reasonable molecules guided by molecular docking
  ☆28Updated 3 weeks ago
• uibcdf / OpenPharmacophore
  An open library to work with pharmacophores.
  ☆48Updated 2 years ago
• compsciencelab / PromptSMILES
  Scaffold decoration and fragment linking with chemical language models and RL
  ☆26Updated 9 months ago
• JacksonBurns / fastprop
  Fast Molecular Property Prediction with mordredcommunity
  ☆56Updated last month
• healx / lig3dlens
  ☆55Updated last month
• molecularinformatics / roshambo2
  ☆39Updated 5 months ago
• WIMNZhao / AIR
  AI-augmented R-group exploration in medicinal chemistry
  ☆20Updated last year
• Laboratoire-de-Chemoinformatique / SynPlanner
  Computer-aided synthesis planning
  ☆44Updated last month
• oxpig / syndirella
  Generates and scores synthetically tractable elaborations from fragment screens
  ☆19Updated last month
• greglandrum / RSC_OpenScience_Standardization_202104
  Materials for my presentation on molecular standardization as part of the RSC OpenScience workshop series
  ☆53Updated 4 years ago
• adalke / mmpdb
  A package to identify matched molecular pairs and use them to predict property changes.
  ☆24Updated last year
• JanoschMenke / metis
  Python-based GUI to collect Feedback of Chemist in Molecules
  ☆53Updated last year
• UnixJunkie / dimorphite_dl
  Mirror of https://git.durrantlab.pitt.edu/jdurrant/dimorphite_dl/
  ☆19Updated 3 years ago
• rxn4chemistry / rxn-chemutils
  Chemistry-related Python utilities used in the RXN universe
  ☆25Updated last year
• cyclica / deriver
  ☆11Updated 2 years ago
• rdkit / UGM_2023
  Materials from the 2023 RDKit UGM
  ☆34Updated 2 years ago