Alternatives and similar repositories for aizynthfinder

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

• aspuru-guzik-group / selfies
  Robust representation of semantically constrained graphs, in particular for molecules in chemistry
  ☆771Updated last month
• MolecularAI / REINVENT4
  AI molecular design tool for de novo design, scaffold hopping, R-group replacement, linker design and molecule optimization.
  ☆515Updated last month
• MolecularAI / Reinvent
  ☆357Updated last month
• datamol-io / datamol
  Molecular Processing Made Easy.
  ☆505Updated last year
• mordred-descriptor / mordred
  a molecular descriptor calculator
  ☆414Updated last year
• rxn4chemistry / rxnmapper
  RXNMapper: Unsupervised attention-guided atom-mapping. Code complementing our Science Advances publication on "Extraction of organic chem…
  ☆317Updated last month
• volkamerlab / teachopencadd
  TeachOpenCADD: a teaching platform for computer-aided drug design (CADD) using open source packages and data
  ☆879Updated 2 weeks ago
• gnina / gnina
  A deep learning framework for molecular docking
  ☆739Updated this week
• chemosim-lab / ProLIF
  Interaction Fingerprints for protein-ligand complexes and more
  ☆425Updated last week
• BenevolentAI / guacamol
  Benchmarks for generative chemistry
  ☆462Updated last year
• pharmai / plip
  Protein-Ligand Interaction Profiler - Analyze and visualize non-covalent protein-ligand interactions in PDB files according to 📝 Adasme …
  ☆557Updated 3 weeks ago
• chembl / chembl_webresource_client
  Official Python client for accessing ChEMBL API
  ☆409Updated 5 months ago
• open-reaction-database / ord-data
  Official data repository for the Open Reaction Database
  ☆279Updated last month
• ASKCOS / ASKCOS
  Software package for computer aided synthesis planning
  ☆232Updated last year
• rdkit / rdkit-tutorials
  Tutorials to learn how to work with the RDKit
  ☆291Updated 2 years ago
• pschwllr / MolecularTransformer
  ☆379Updated 3 years ago
• rxn4chemistry / rxn4chemistry
  Python wrapper for the IBM RXN for Chemistry API
  ☆206Updated last year
• ur-whitelab / exmol
  Explainer for black box models that predict molecule properties
  ☆333Updated 2 months ago
• oddt / oddt
  Open Drug Discovery Toolkit
  ☆439Updated 2 years ago
• jrwnter / cddd
  Implementation of the Paper "Learning Continuous and Data-Driven Molecular Descriptors by Translating Equivalent Chemical Representations…
  ☆237Updated 2 years ago
• rdkit / mmpdb
  A package to identify matched molecular pairs and use them to predict property changes.
  ☆237Updated last month
• MolecularAI / GraphINVENT
  Graph neural networks for molecular design.
  ☆372Updated 2 years ago
• PatWalters / practical_cheminformatics_tutorials
  Practical Cheminformatics Tutorials
  ☆1,038Updated last week
• DrrDom / crem
  CReM: chemically reasonable mutations framework
  ☆237Updated 3 weeks ago
• seyonechithrananda / bert-loves-chemistry
  bert-loves-chemistry: a repository of HuggingFace models applied on chemical SMILES data for drug design, chemical modelling, etc.
  ☆458Updated 8 months ago
• pablo-arantes / making-it-rain
  Cloud-based molecular simulations for everyone
  ☆438Updated last month
• ecrl / padelpy
  A Python wrapper for PaDEL-Descriptor software
  ☆207Updated 2 months ago
• maabuu / posebusters
  Plausibility checks for generated molecule poses.
  ☆300Updated last week
• openmm / pdbfixer
  PDBFixer fixes problems in PDB files
  ☆554Updated 4 months ago
• chembl / ChEMBL_Structure_Pipeline
  ChEMBL database structure pipelines
  ☆209Updated 10 months ago