AAriam

Python

All Algorithms implemented in Python

ohmyzsh

🙃 A delightful community-driven (with 2,300+ contributors) framework for managing your zsh configuration. Includes 300+ optional plugins (rails, git, macOS, hub, docker, homebrew, node, php, python, etc), 140+ themes to spice up your morning, and an auto-update tool so that makes it easy to keep up with the latest updates from the community.

polars

Dataframes powered by a multithreaded, vectorized query engine, written in Rust

shields

Concise, consistent, and legible badges in SVG and raster format

pint

Operate and manipulate physical quantities in Python

torchdrug

A powerful and flexible machine learning platform for drug discovery

examples

Fortran and Python examples to accompany the book "Computer Simulation of Liquids" by Michael P. Allen and Dominic J. Tildesley (2nd edition, Oxford University Press, 2017). Use the "Code" button, or follow the "Releases" link below.

exmol

Explainer for black box models that predict molecule properties

mendeleev

A python package for accessing various properties of elements, ions and isotopes in the periodic table of elements.

scikit-learn-extra

scikit-learn contrib estimators

pmapper

3D pharmacophore signatures and fingerprints

opencadd

A Python library for structural cheminformatics

liberty

Uncensored Internet Access for the People of Iran

mdciao

mdciao: Accessible Analysis and Visualization of Molecular Dynamics Simulation Data

im2dhisteq

This module attempts to enhance contrast of a given image by equalizing its two dimensional histogram.

CommonNNClustering

Principal-component-analysis-PCA

This is a showcase on how PCA is used for dimensionality reduction. Putting aside non-essential dimensions, especially for the case of big datasets, helps programmers and data scientists to work with data in a more efficient way.

ode

Ordinary differential equation solver (numeric integration)