Alternatives and similar repositories for rdkit

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

• openbabel / openbabel
  Open Babel is a chemical toolbox designed to speak the many languages of chemical data.
  ☆1,207Updated 5 months ago
• chemprop / chemprop
  Message Passing Neural Networks for Molecule Property Prediction
  ☆2,056Updated last week
• PatWalters / practical_cheminformatics_tutorials
  Practical Cheminformatics Tutorials
  ☆1,059Updated 2 weeks ago
• lmmentel / awesome-python-chemistry
  A curated list of Python packages related to chemistry
  ☆1,261Updated 10 months ago
• volkamerlab / teachopencadd
  TeachOpenCADD: a teaching platform for computer-aided drug design (CADD) using open source packages and data
  ☆895Updated last month
• mcs07 / PubChemPy
  Python wrapper for the PubChem PUG REST API.
  ☆454Updated this week
• molecularsets / moses
  Molecular Sets (MOSES): A Benchmarking Platform for Molecular Generation Models
  ☆913Updated last year
• Mariewelt / OpenChem
  OpenChem: Deep Learning toolkit for Computational Chemistry and Drug Design Research
  ☆717Updated last year
• nglviewer / nglview
  Jupyter widget to interactively view molecular structures and trajectories
  ☆883Updated 2 months ago
• aspuru-guzik-group / selfies
  Robust representation of semantically constrained graphs, in particular for molecules in chemistry
  ☆784Updated 2 months ago
• hsiaoyi0504 / awesome-cheminformatics
  A curated list of Cheminformatics libraries and software.
  ☆764Updated last year
• chainer / chainer-chemistry
  Chainer Chemistry: A Library for Deep Learning in Biology and Chemistry
  ☆673Updated 2 years ago
• MolecularAI / aizynthfinder
  A tool for retrosynthetic planning
  ☆702Updated last month
• schrodinger / pymol-open-source
  Open-source foundation of the user-sponsored PyMOL molecular visualization system.
  ☆1,426Updated this week
• openmm / openmm
  OpenMM is a toolkit for molecular simulation using high performance GPU code.
  ☆1,659Updated this week
• mordred-descriptor / mordred
  a molecular descriptor calculator
  ☆419Updated last year
• MDAnalysis / mdanalysis
  MDAnalysis is a Python library to analyze molecular dynamics simulations.
  ☆1,452Updated this week
• gnina / gnina
  A deep learning framework for molecular docking
  ☆746Updated last month
• ccsb-scripps / AutoDock-Vina
  AutoDock Vina
  ☆777Updated last month
• mims-harvard / TDC
  Therapeutics Commons (TDC): Multimodal Foundation for Therapeutic Science
  ☆1,132Updated 3 weeks ago
• psi4 / psi4
  Open-Source Quantum Chemistry – an electronic structure package in C++ driven by Python
  ☆1,072Updated 2 weeks ago
• chembl / chembl_webresource_client
  Official Python client for accessing ChEMBL API
  ☆411Updated 6 months ago
• atomistic-machine-learning / schnetpack
  SchNetPack - Deep Neural Networks for Atomistic Systems
  ☆861Updated last week
• aspuru-guzik-group / chemical_vae
  Code for 10.1021/acscentsci.7b00572, now running on Keras 2.0 and Tensorflow
  ☆525Updated 2 years ago
• deepchem / deepchem
  Democratizing Deep-Learning for Drug Discovery, Quantum Chemistry, Materials Science and Biology
  ☆6,139Updated last week
• pyscf / pyscf
  Python module for quantum chemistry
  ☆1,401Updated last week
• gcorso / DiffDock
  Implementation of DiffDock: Diffusion Steps, Twists, and Turns for Molecular Docking
  ☆1,300Updated 3 months ago
• mdtraj / mdtraj
  An open library for the analysis of molecular dynamics trajectories
  ☆662Updated this week
• oddt / oddt
  Open Drug Discovery Toolkit
  ☆443Updated 2 years ago
• cdk / cdk
  The Chemistry Development Kit
  ☆543Updated 2 weeks ago