Alternatives and similar repositories for cdkbook:

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

• joofio / py4chemoinformatics
  Python for chemoinformatics
  ☆109Updated 4 years ago
• kmansouri / OPERA
  Free and open-source application (command line and GUI) providing QSAR models predictions as well as applicability domain and accuracy as…
  ☆97Updated 4 months ago
• paiardin / DockingPie
  A Consensus Docking Plugin for PyMOL
  ☆67Updated 8 months ago
• Valdes-Tresanco-MS / AMDock-win
  (Windows) AMDock: Assisted molecular docking with AutoDock4 and AutoDockVina
  ☆62Updated 2 years ago
• rinikerlab / lightweight-registration
  ☆68Updated this week
• thsa / datawarrior
  Interactive data analysis and visualisation with chemical intelligence
  ☆107Updated last week
• duerrsimon / substrate-scope-plot
  ☆53Updated 5 years ago
• jaredsampson / pymolprobity
  A MolProbity-style visualization plugin for PyMOL
  ☆12Updated 2 years ago
• apahl / rdkit_ipynb_tools
  RDKit Tools for the IPython Notebook
  ☆46Updated 6 years ago
• bioexcel / biobb
  Biobb (BioExcel building blocks) packages are Python building blocks that create new layer of compatibility and interoperability over pop…
  ☆56Updated last month
• wolberlab / OpenMMDL
  Interface to OpenMM for easy setup of molecular dynamic simulations of protein-ligand complexes
  ☆106Updated 3 weeks ago
• volkamerlab / opencadd
  A Python library for structural cheminformatics
  ☆94Updated this week
• IanAWatson / Lilly-Medchem-Rules
  Implementation of Lilly Medchem Rules - J Med Chem 2012
  ☆86Updated 4 months ago
• iwatobipen / chemo_info
  ☆32Updated 4 years ago
• AstraZeneca / jazzy
  Fast calculation of hydrogen-bond strengths and free energy of hydration of small molecules.
  ☆80Updated 3 weeks ago
• kmansouri / QSAR-ready
  Standardization workflow for QSAR-ready chemical structures pre-treatment. See "release" tab for the latest version and sample files!
  ☆21Updated 4 months ago
• Valdes-Tresanco-MS / AMDock
  (Linux and macOS) AMDock: Assisted molecular docking with AutoDock4 and AutoDockVina
  ☆67Updated last year
• PatWalters / chem_tutorial
  ☆91Updated 3 years ago
• IFMlab / ChemFlow
  Computational Chemistry Workflows
  ☆54Updated 2 years ago
• pnnl / isicle
  In silico chemical library engine for high-accuracy chemical property prediction
  ☆58Updated last week
• wells-wood-research / drMD
  Molecular Dynamics for Experimentalists
  ☆48Updated last week
• makson96 / Dynamics
  Dynamics PyMOL Plugin
  ☆42Updated 10 months ago
• wlsong / PyLipID
  A python toolkit for analysing membrane protein-lipid interactions.
  ☆63Updated last year
• lewisacidic / scikit-chem
  A high level cheminformatics package for the Scientific Python stack, built on RDKit.
  ☆64Updated 4 years ago
• CBDD / rDock
  rDock is a fast and versatile Open Source docking program that can be used to dock small molecules against proteins and nucleic acids. It…
  ☆54Updated this week
• openmm / openmm-setup
  An application for configuring and running simulations with OpenMM
  ☆62Updated 3 months ago
• mqcomplab / iSIM
  Module containing scripts to perform multiple comparison simultaneously and getting the exact same value as the average pairwise comparis…
  ☆37Updated 2 weeks ago
• sriniker / TDT-tutorial-2014
  Tutorial for the Teach-Discover-Treat (TDT) Competition 2014 - Challenge 1: Anti-Malaria hit finding using classifier-fusion boosted pred…
  ☆24Updated 7 years ago
• MooersLab / pymolshortcuts
  The repository pymolschortucts contains the a collection of shortcuts that are loaded on startup of PyMOL. These shortcuts enable websear…
  ☆75Updated 9 months ago
• CharlesHahn / DuIvyTools
  A Tool to process and visualize the results of molecular dynamics simulations(GROMACS).
  ☆65Updated 6 months ago