Alternatives and similar repositories for aizynthfinder:

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

• MolecularAI / REINVENT4
  AI molecular design tool for de novo design, scaffold hopping, R-group replacement, linker design and molecule optimization.
  ☆468Updated 3 weeks ago
• MolecularAI / Reinvent
  ☆350Updated last year
• rdkit / rdkit-tutorials
  Tutorials to learn how to work with the RDKit
  ☆284Updated 2 years ago
• mordred-descriptor / mordred
  a molecular descriptor calculator
  ☆400Updated last year
• aspuru-guzik-group / selfies
  Robust representation of semantically constrained graphs, in particular for molecules in chemistry
  ☆737Updated 3 months ago
• ASKCOS / ASKCOS
  Software package for computer aided synthesis planning
  ☆225Updated last year
• chemosim-lab / ProLIF
  Interaction Fingerprints for protein-ligand complexes and more
  ☆403Updated last week
• rxn4chemistry / rxnmapper
  RXNMapper: Unsupervised attention-guided atom-mapping. Code complementing our Science Advances publication on "Extraction of organic chem…
  ☆304Updated last month
• datamol-io / datamol
  Molecular Processing Made Easy.
  ☆490Updated 10 months ago
• rxn4chemistry / rxn4chemistry
  Python wrapper for the IBM RXN for Chemistry API
  ☆193Updated 11 months ago
• chembl / ChEMBL_Structure_Pipeline
  ChEMBL database structure pipelines
  ☆201Updated 7 months ago
• ecrl / padelpy
  A Python wrapper for PaDEL-Descriptor software
  ☆199Updated last year
• BenevolentAI / guacamol
  Benchmarks for generative chemistry
  ☆444Updated last year
• jrwnter / cddd
  Implementation of the Paper "Learning Continuous and Data-Driven Molecular Descriptors by Translating Equivalent Chemical Representations…
  ☆232Updated 2 years ago
• pharmai / plip
  Protein-Ligand Interaction Profiler - Analyze and visualize non-covalent protein-ligand interactions in PDB files according to 📝 Adasme …
  ☆523Updated 2 weeks ago
• DrrDom / crem
  CReM: chemically reasonable mutations framework
  ☆230Updated last month
• gnina / gnina
  A deep learning framework for molecular docking
  ☆703Updated last month
• volkamerlab / teachopencadd
  TeachOpenCADD: a teaching platform for computer-aided drug design (CADD) using open source packages and data
  ☆849Updated last month
• oddt / oddt
  Open Drug Discovery Toolkit
  ☆437Updated 2 years ago
• ur-whitelab / exmol
  Explainer for black box models that predict molecule properties
  ☆327Updated 3 weeks ago
• pschwllr / MolecularTransformer
  ☆369Updated 3 years ago
• openmm / pdbfixer
  PDBFixer fixes problems in PDB files
  ☆536Updated last month
• open-reaction-database / ord-data
  Official data repository for the Open Reaction Database
  ☆267Updated 2 months ago
• seyonechithrananda / bert-loves-chemistry
  bert-loves-chemistry: a repository of HuggingFace models applied on chemical SMILES data for drug design, chemical modelling, etc.
  ☆446Updated 5 months ago
• PatWalters / practical_cheminformatics_tutorials
  Practical Cheminformatics Tutorials
  ☆962Updated this week
• cbouy / mols2grid
  Interactive molecule viewer for 2D structures
  ☆218Updated last year
• MolecularAI / deep-molecular-optimization
  Molecular optimization by capturing chemist’s intuition using the Seq2Seq with attention and the Transformer
  ☆148Updated 2 years ago
• openforcefield / openff-toolkit
  The Open Forcefield Toolkit provides implementations of the SMIRNOFF format, parameterization engine, and other tools. Documentation avai…
  ☆339Updated this week
• chembl / chembl_webresource_client
  Official Python client for accessing ChEMBL API
  ☆401Updated 3 months ago
• dreadlesss / rdkit_summary
  rdkit总结与实践
  ☆228Updated 4 years ago