joraso / toolbox

A personal notebook of general applied math and numerical analysis algorithms/methods.

ToolBox

This repository is intended to be a personal notebook of numerical analysis, applied math, and algorithmic programming methods - a place to stash my notes and code for new methods as I acquire them and techniques I already know as I review them.

Mathematics

This folder is dedicated to applied math and numerical analysis methods.

Currently included:

• Principal Component Analysis

Planned inclusions:

• Singular value decomposition
• Numerical Calculus
• Fast Fourier Transform
• Multidimensional Linear Regression
• Monte Carlo optimization
• Gradient Descent (normal and stochastic)

Coding

This folder is dedicated to algorithmic programming examples and practice.

Currently included:

• Binary Tree structure/algorithms
• Singly Linked List structure/algorithms
• Sorting algorithms (merge/quick sort)
• Searching algorithms (binary search)
• Graph structure/algorithms
• Miscellaneous interesting/hard coding problems

Python

This folder is dedicated to notes and snippits specific to Python usage.

Currently included:

• Example of an overloading operators for a custom object.
• Sample usage of decorators, with an example timer, log and repeater decorators.
• Basic creation/usage of a generator, with Fibonacci number example.
• Basic creation/usage of a context manager.

MachineLearning

This folder is dedicated to notes on machine learning algorithms and packaged.

Currently Included:

• Example/snippet of how to construct a basic PyTorch model

Planned inclusions:

• Example/snippet of how to construct a basic TensorFlow model
• Illustration of Random Forest algorithm.
• Illustration of SVM algorithms.
• Illustration of Graph NNs (m).
• Illustration of Transformers.

Cheminformatics

Folder for sum useful cheminformatics snippets

Currently Included:

• Example/snippet of how to RDKit-featurize a molecule

Planned inclusions:

• Example/snippet of how to get fingerprints/Tanimoto distance
• Example/snippet of file type conversion with OpenBabel
• Molecular graph conversion?

PyQt

PyQt practice and examples.

Currently included:

• A simple "Hello World" popup, demonstrating very basic usage.
• A True/False popup quiz with rudimentary layouts, buttons, and simple signal/slot usage.
• A simple calculator app with grid layout and line edit usage.
• A simple list maker widget, demonstrating the basic model/viewer architecture paradigm.
• A more complex CSV viewer/editor project (currently under construction), making use of QTables, QFileDialog, QTabWidget, QMainWindow, and QToolBar.