Alternatives and similar repositories for cdkbook

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

• iwatobipen / chemo_info
  ☆31Updated 4 months ago
• bioexcel / biobb
  Biobb (BioExcel building blocks) packages are Python building blocks that create new layer of compatibility and interoperability over pop…
  ☆60Updated 3 weeks ago
• asad / ReactionDecoder
  Reaction Decoder Tool (RDT) - Atom Atom Mapping Tool
  ☆78Updated 3 years ago
• pnnl / isicle
  In silico chemical library engine for high-accuracy chemical property prediction
  ☆61Updated 4 months ago
• PatWalters / chem_tutorial
  ☆91Updated 3 years ago
• NIEHS / OPERA
  Free and open-source application (command line and GUI) providing QSAR models predictions as well as applicability domain and accuracy as…
  ☆79Updated last month
• moltools / CineMol
  Direct-to-SVG small molecule drawer.
  ☆27Updated 6 months ago
• sebotic / cdk_pywrapper
  A Python wrapper for the Chemistry Development Kit (CDK)
  ☆33Updated last week
• ADplugin / ADplugin
  Autodock/Vina plugin for PyMol by Daniel Seeliger
  ☆27Updated 7 years ago
• InformaticsMatters / pipelines
  Containerised components for cheminformatics and computational chemistry
  ☆36Updated 2 years ago
• Valdes-Tresanco-MS / AMDock
  (Linux and macOS) AMDock: Assisted molecular docking with AutoDock4 and AutoDockVina
  ☆70Updated 2 years ago
• chembience / chembience
  A Docker-based, cloudable platform for the development of chemoinformatics-centric web applications and microservices.
  ☆45Updated 3 months ago
• FelixBaensch / MORTAR
  MOlecule fRagmenTAtion fRamework
  ☆23Updated this week
• kmansouri / QSAR-ready
  Standardization workflow for QSAR-ready chemical structures pre-treatment. See "release" tab for the latest version and sample files!
  ☆22Updated 11 months ago
• kmansouri / OPERA
  Free and open-source application (command line and GUI) providing QSAR models predictions as well as applicability domain and accuracy as…
  ☆106Updated 2 months ago
• joofio / py4chemoinformatics
  Python for chemoinformatics
  ☆114Updated 4 years ago
• dkoes / qsar-tools
  Scripts for assisting in modeling quantitative structure activity relationships from 2D chemical data
  ☆61Updated 3 years ago
• apahl / mol_frame
  Chemical Structure Handling for Pandas DataFrames
  ☆33Updated 2 years ago
• paiardin / DockingPie
  A Consensus Docking Plugin for PyMOL
  ☆77Updated last year
• suneelbvs / rdkit_tutorials
  rdKit basics (provided jupyter notebooks are custom curated and will help the users to start working on rdKit)
  ☆33Updated 2 years ago
• ci-lab-cz / easydock
  Fully automated docking pipeline (can be run in distributed environments)
  ☆47Updated last week
• flatkinson / standardiser
  Molecular standardisation tool
  ☆77Updated 5 years ago
• QVina / QVina.github.io
  The code for the QuickVina homepage.
  ☆33Updated 2 years ago
• Steinbeck-Lab / coconut
  COCONUT (COlleCtion of Open Natural prodUcTs): A comprehensive platform facilitating natural product research by providing data, tools, a…
  ☆34Updated last week
• Valdes-Tresanco-MS / AMDock-win
  (Windows) AMDock: Assisted molecular docking with AutoDock4 and AutoDockVina
  ☆67Updated 3 years ago
• duerrsimon / substrate-scope-plot
  ☆55Updated 3 months ago
• cdk / depict
  SMILES Depiction Generator
  ☆59Updated last month
• BTheDragonMaster / pikachu
  Python-based Informatics Kit for Analysing Chemical Units
  ☆72Updated last year
• dwhswenson / contact_map
  Contact map analysis for biomolecules; based on MDTraj
  ☆46Updated 8 months ago
• MooersLab / pymolshortcuts
  The repository pymolschortucts contains the a collection of shortcuts that are loaded on startup of PyMOL. These shortcuts enable websear…
  ☆80Updated last year