py4chemoinformatics
Cheminformatics tutorial
A comprehensive guide to chemoinformatics using Python and RDKit
Python for chemoinformatics
223 stars
17 watching
91 forks
Language: Jupyter Notebook
last commit: over 3 years ago
Linked from 1 awesome list
cheminformaticschemoinformaticsjupyterpythonrdkitscikit-learn
Related projects:
Repository | Description | Stars |
---|---|---|
psi4/psi4numpy | An interactive quantum chemistry framework combining Psi4 and Numpy for education and development | 351 |
yhilpisch/py4fi2nd | A collection of Python codes and Jupyter Notebooks for the book Python for Finance (2nd ed.) by Yves Hilpisch. | 1,424 |
mrmimic/data-scientist-roadmap | Creating tutorials to teach data science skills through Jupyter Notebook | 7,011 |
weisscharlesj/scicompforchemists | A comprehensive textbook and teaching resource on programming in Python with applications to chemistry | 236 |
oddt/oddt | A comprehensive toolkit for cheminformatics and molecular modeling tasks | 424 |
yhilpisch/py4at | A collection of Jupyter Notebooks and Python code supporting the book on algorithmic trading using Python. | 701 |
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. | 318 |
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 | 29 |
jvalegre/robert | Automated machine learning protocols for cheminformatics using Python | 39 |
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 | 560 |
jadianes/data-science-your-way | An introduction to data science concepts and applications in R and Python using hands-on tutorials | 597 |
4dsolutions/python5 | An experiment in teaching Python programming using Jupyter Notebooks | 11 |