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mdtraj

An open library for the analysis of molecular dynamics trajectories

micrograd

A tiny scalar-valued autograd engine and a neural net library on top of it with PyTorch-like API

mitx_6.86x

Notes of MITx 6.86x - Machine Learning with Python: from Linear Models to Deep Learning

ml-club-asu

ml-foundations

Machine Learning Foundations: Linear Algebra, Calculus, Statistics & Computer Science

mlxtend

A library of extension and helper modules for Python's data analysis and machine learning libraries.

modular_tree

molcalc

MolCalc is a web interface that allows anyone to build molecules and calculate molecular properties online

molcalc-1.3

MolCalc version 1.3 (php)

molmod-data

Data files for the molecular modelling course

nanogpt

The simplest, fastest repository for training/finetuning medium-sized GPTs.

neovim

Vim-fork focused on extensibility and usability

neural-networks-and-deep-learning

Code samples for my book "Neural Networks and Deep Learning"

nn-svg

Publication-ready NN-architecture schematics.

nn-zero-to-hero

Neural Networks: Zero to Hero

nvchad

Blazing fast Neovim framework providing solid defaults and a beautiful UI, enhancing your neovim experience.

openforcefield

The Open Forcefield Toolkit provides implementations of the SMIRNOFF format, parameterization engine, and other tools. Documentation available at http://open-forcefield-toolkit.readthedocs.io

opentoonz

OpenToonz - An open-source full-featured 2D animation creation software

ossu-computer-science-progress

Progress tracking template for the OSSU CS degree

plumed2

Development version of plumed 2

powerlevel10k

A Zsh theme

ppqm

Enable cheminformatics and quantum chemistry

practical_cheminformatics_tutorials

Practical Cheminformatics Tutorials

probabilistic-programming-and-bayesian-methods-for-hackers

aka "Bayesian Methods for Hackers": An introduction to Bayesian methods + probabilistic programming with a computation/understanding-first, mathematics-second point of view. All in pure Python ;)

pycaret-book

Repository for the book Simplifying Machine Learning with PyCaret.

pymol-open-source

Open-source foundation of the user-sponsored PyMOL molecular visualization system.

python

All Algorithms implemented in Python

python-1

Python code for YouTube videos.

python-essential-training-2449125

Python Essential Training

python-for-bioinformatics