py4chemoinformatics

Cheminformatics tutorial

A comprehensive guide to chemoinformatics using Python and RDKit

Python for chemoinformatics

GitHub

222 stars
17 watching
90 forks
Language: Jupyter Notebook
last commit: over 3 years ago
Linked from 1 awesome list

cheminformaticschemoinformaticsjupyterpythonrdkitscikit-learn

Backlinks from these awesome lists:

Related projects:

Repository Description Stars
psi4/psi4numpy An interactive quantum chemistry framework combining Psi4 and Numpy for education and development 346
yhilpisch/py4fi2nd Provides Python code and Jupyter Notebooks for teaching finance with Python 1,416
mrmimic/data-scientist-roadmap Creating tutorials to teach data science skills through Jupyter Notebook 6,979
weisscharlesj/scicompforchemists A comprehensive textbook and teaching resource on programming in Python with applications to chemistry 227
oddt/oddt A comprehensive toolkit for cheminformatics and molecular modeling, providing tools for docking, scoring, screening, and more. 419
yhilpisch/py4at Jupyter Notebooks and code for algorithmic trading book in Python 694
gmonce/scikit-learn-book Source code and data for a machine learning book with Python tutorials 393
epam/indigo A comprehensive toolkit for chemistry and molecule analysis, including search engines, visualization tools, and data manipulation utilities. 315
tridentbio/trident-chemwidgets A set of interactive Jupyter widgets for visualizing and analyzing molecular data 30
zmk5/jupyter-ros2 Enables interactive development and visualization of ROS2-based projects in Jupyter notebooks 28
jvalegre/robert Automated machine learning protocols for cheminformatics using Python 38
pylcars/python-and-spice-book A comprehensive guide to using Python and SPICE circuit simulations in electronics design 9
bjodah/chempy A comprehensive Python package for chemistry calculations and properties 557
jadianes/data-science-your-way An introduction to data science concepts and applications in R and Python using hands-on tutorials 594
4dsolutions/python5 An experiment in teaching Python programming using Jupyter Notebooks 11