Alternatives and similar repositories for rdalchemy

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

• chembience / chembience
  A Docker-based, cloudable platform for the development of chemoinformatics-centric web applications and microservices.
  ☆46Updated 8 months ago
• rvianello / razi
  A cheminformatics extension for the SQLAlchemy database toolkit.
  ☆40Updated 5 months ago
• rdkit / django-rdkit
  ☆55Updated 2 months ago
• rvianello / chemicalite
  An SQLite extension for chemoinformatics applications.
  ☆62Updated 3 months ago
• apahl / rdkit_ipynb_tools
  RDKit Tools for the IPython Notebook
  ☆46Updated 7 years ago
• cinfony / cinfony
  Simplified and standard interface to a number of cheminformatics toolkits
  ☆88Updated 2 years ago
• MobleyLab / GuthrieSolv
  Experimental small molecule hydration free energy dataset
  ☆30Updated 3 years ago
• nextmovesoftware / molhash
  Create molecular hashes
  ☆27Updated 6 years ago
• choderalab / openmoltools
  An open set of tools for automating tasks relating to small molecules
  ☆69Updated 4 years ago
• InformaticsMatters / pipelines
  Containerised components for cheminformatics and computational chemistry
  ☆36Updated 2 years ago
• rdkit / UGM_2016
  Materials from the 2016 RDKit UGM
  ☆41Updated 9 years ago
• matteoferla / molecular_rectifier
  Given an RDKit molecule that does not sanitise, correct it until it does
  ☆43Updated last year
• openforcefield / cmiles
  Generate canonical molecule identifiers for quantum chemistry database
  ☆23Updated 4 years ago
• WahlOya / Tautobase
  Contains relevant project files to publicly available tautomer database "Tautobase"
  ☆19Updated 3 years ago
• samplchallenges / SAMPL6
  Challenge inputs, details, and results for the SAMPL6 series of challenges
  ☆54Updated 3 years ago
• lewisacidic / scikit-chem
  A high level cheminformatics package for the Scientific Python stack, built on RDKit.
  ☆63Updated 5 years ago
• chemalot / chemalot
  chemalot: a command-line cheminformatics open-source package
  ☆38Updated 2 years ago
• apahl / mol_frame
  Chemical Structure Handling for Pandas DataFrames
  ☆34Updated 3 years ago
• rdkit / RDKitjs-legacy
  Obsolete codebase, please do not use.
  ☆35Updated 3 years ago
• Becksteinlab / MDAnalysis-workshop
  MDAnalysis Tutorial at the 2015 CECAM Macromolecular simulation software workshop
  ☆13Updated 9 years ago
• dseeliger / pmx
  Toolkit for free-energy calculation setup/analysis and biomolecular structure handling
  ☆67Updated 4 years ago
• rdkit / UGM_2020
  Materials from the (virtual) 2020 RDKit UGM
  ☆52Updated 5 years ago
• rdkit / benchmarking_platform
  ☆29Updated 3 years ago
• chembl / surechembl-data-client
  A collection of scripts for retrieving, storing, and querying SureChEMBL data.
  ☆41Updated last year
• DrrDom / spci
  Tool for mining structure-property relationships from chemical datasets
  ☆16Updated 3 weeks ago
• rdkit / UGM_2021
  Materials from the (virtual) 2021 RDKit UGM
  ☆38Updated 4 years ago
• tuffery / Frog2
  2D/3D generation for small compounds
  ☆33Updated 6 years ago
• flatkinson / standardiser
  Molecular standardisation tool
  ☆77Updated 5 years ago
• Merck / pmpo
  Probabilistic Multi-Parameter Optimization (pMPO)
  ☆17Updated 8 years ago
• PatWalters / metk
  Model Evaluation Toolkit
  ☆27Updated 6 years ago