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A novel approach to pose selection in protein-ligand docking based on graph theory.

deeplearning-models

A collection of various deep learning architectures, models, and tips

Jupyter Notebook

16,088

python-machine-learning-book

The "Python Machine Learning (1st edition)" book code repository and info resource

Jupyter Notebook

12,030

python-machine-learning-book-2nd-edition

The "Python Machine Learning (2nd edition)" book code repository and info resource

Jupyter Notebook

7,021

mlxtend

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

Python

4,631

python-machine-learning-book-3rd-edition

The "Python Machine Learning (3rd edition)" book code repository

Jupyter Notebook

4,568

pattern_classification

A collection of tutorials and examples for solving and understanding machine learning and pattern classification tasks

Jupyter Notebook

4,057

python_reference

Useful functions, tutorials, and other Python-related things

Jupyter Notebook

3,715

deep-learning-book

Repository for "Introduction to Artificial Neural Networks and Deep Learning: A Practical Guide with Applications in Python"

Jupyter Notebook

2,766

machine-learning-book

Code Repository for Machine Learning with PyTorch and Scikit-Learn

Jupyter Notebook

2,428

matplotlib-gallery

Examples of matplotlib codes and plots

Jupyter Notebook

1,135

watermark

An IPython magic extension for printing date and time stamps, version numbers, and hardware information

Python

845

machine-learning-notes

Collection of useful machine learning codes and snippets (originally intended for my personal use)

Jupyter Notebook

709

stat479-machine-learning-fs19

Course material for STAT 479: Machine Learning (FS 2019) taught by Sebastian Raschka at University Wisconsin-Madison

Jupyter Notebook

673

scipy2023-deeplearning

Jupyter Notebook

597

pyprind

PyPrind - Python Progress Indicator Utility

Python

545

stat453-deep-learning-ss20

STAT 453: Intro to Deep Learning @ UW-Madison (Spring 2020)

Jupyter Notebook

537

stat479-deep-learning-ss19

Course material for STAT 479: Deep Learning (SS 2019) at University Wisconsin-Madison

Jupyter Notebook

493

algorithms_in_ipython_notebooks

A repository with IPython notebooks of algorithms implemented in Python.

Jupyter Notebook

493

stat479-machine-learning-fs18

Course material for STAT 479: Machine Learning (FS 2018) at University Wisconsin-Madison

Jupyter Notebook

470

musicmood

A machine learning approach to classify songs by mood.

OpenEdge ABL

404

stat453-deep-learning-ss21

STAT 453: Intro to Deep Learning @ UW-Madison (Spring 2021)

Jupyter Notebook

363

stat451-machine-learning-fs20

STAT 451: Intro to Machine Learning @ UW-Madison (Fall 2020)

Jupyter Notebook

359

datacollect

A collection of tools to collect and download various data.

Jupyter Notebook

207

data-science-tutorial

Code material for a data science tutorial

Jupyter Notebook

188

LLM-finetuning-scripts

Jupyter Notebook

135

One-Python-benchmark-per-day

An ongoing fun challenge where I'll try to post one Python benchmark per day.

HTML

130

pydata-chicago2016-ml-tutorial

Machine learning with scikit-learn tutorial at PyData Chicago 2016

Jupyter Notebook

128

stat451-machine-learning-fs21

cvpr2023

faster-pytorch-blog

Outlining techniques for improving the training performance of your PyTorch model without compromising its accuracy

Python

115

msu-datascience-ml-tutorial-2018

Machine learning with Python tutorial at MSU Data Science 2018

Jupyter Notebook

105

protein-science

A collection of useful tutorials for Protein Science

Python

markdown-toclify

A Python command line tool that creates a Table of Contents for Markdown documents

Python

cyclemoid-pytorch

Cyclemoid implementation for PyTorch

Python

MachineLearning-QandAI-book

Machine Learning Q and AI book

Jupyter Notebook

pydata-annarbor2017-dl-tutorial

Code snippets for "Introduction to Deep Learning with TensorFlow" at PyData Ann Arbor Aug 2017

Jupyter Notebook

smilite

A Python module to retrieve and compare SMILE strings of chemical compounds from the free ZINC online database

Python

pytorch-memory-optim

This code repository contains the code used for my "Optimizing Memory Usage for Training LLMs and Vision Transformers in PyTorch" blog post.

Python

DeepLearning-Gdansk2019-tutorial

Ordinal Regression tutorial for the International Summer School on Deep Learning 2019

Jupyter Notebook

model-eval-article-supplementary

Supplementary material for the article "Model Evaluation, Model Selection, and Algorithm Selection in Machine Learning"

Jupyter Notebook

nn_plus_gzip

Gzip and nearest neighbors for text classification

Jupyter Notebook

LLMs-from-scratch

Implementing ChatGPT-like LLMs from scratch, step by step

Jupyter Notebook

interpretable-ml-article

Code examples for my Interpretable Machine Learning Blog Series

Jupyter Notebook

R_snippets

R Scripts for general data analysis and plotting

numpy-intro-blogarticle-2020

Jupyter Notebook for the "Scientific Computing in Python: Introduction to NumPy and Matplotlib" blog article

Jupyter Notebook

blog-finetuning-llama-adapters

Supplementary material for "Understanding Parameter-Efficient Finetuning of Large Language Models: From Prefix Tuning to Adapters"

Jupyter Notebook

mputil

Utility functions for Python's multiprocessing standard library module

Python

pybibtex

Utility functions for parsing BibTeX files and creating citation reference lists.

Python

mytorch

Collection of PyTorch-related utility functions

Python

posit2023-python-ml

Workshop materials for posit::conf(2023)

Jupyter Notebook

comparing-automatic-augmentation-blog

Comparing four automatic image augmentation techniques in PyTorch: AutoAugment, RandAugment, AugMix, and TrivialAugment

Jupyter Notebook

pytorch-fabric-demo

Python

Hbind

Calculates hydrogen-bond interaction tables for protein-small molecule complexes, based on protein PDB and protonated ligand MOL2 structure input. Raschka et al. (2018) J. Computer-Aided Molec. Design

scipy2022-talk

Python

gradient-accumulation-blog

Finetuning BLOOM on a single GPU using gradient-accumulation

Python

screenlamp

screenlamp is a Python toolkit for hypothesis-driven virtual screening

Python

2021-issdl-gdansk

Intro to GAN Tutorial for the International Summer School of Deep Learning 2021 in Gdansk

Jupyter Notebook

predicting-activity-by-machine-learning

Activity From Virtual Screening Code Repository

Jupyter Notebook

BondPack

A collection of PyMOL plugins to visualize atomic bonds.

Python

uw-madison-datacience-club-talk-oct2019

Slides and code for the talk at UW-Madison's Data Science Club, 10 Oct 2019

Jupyter Notebook

low-rank-adaptation-blog

Python

R-notes

Various R lang related material for teaching.

Python

2021-pydata-jeddah

Materials for "Transformers from the Ground Up" at PyData Jeddah on August 5, 2021

Jupyter Notebook

b3-basic-batchsize-benchmark

Experiments for the blog post "No, We Don't Have to Choose Batch Sizes As Powers Of 2"

Python

ViT-finetuning-scripts

Vision transformer finetuning scripts

Python

datapipes-blog

Code for the DataPipes article

Jupyter Notebook

srgan-lightning-blog

Sharing Deep Learning Research Models with Lightning Part 1: Building A Super Resolution App

Python

try-lion-optimizer

Jupyter Notebook

mnist-pngs

MNIST files in PNG format

Python

py-args

Python command line tools as productivity supplements for Posix systems

Python

ecml-teaching-ml-2021

Jupyter Notebook

HbindViz

Tools for generating hydrogen-bond interaction visualizations from Hbind

Python

protein-recognition-index

Protein Recognition Index (PRI), measuring the similarity between H-bonding features in a given complex (predicted or designed) and the characteristic H-bond trends from crystallographic complexes

Python

ord-torchhub

Ordinal Regression PyTorch Hub

Python

compair

Model evaluation utilities

Python

torchmetrics-blog

Code for "TorchMetrics -- How do we use it, and what's the difference between .update() and .forward()"

Jupyter Notebook

rasbt

advent-of-code-2016

My Solutions for the Advent of Code 2016

Python

bugreport

A repository to store code examples to reproduce issues for bug reports.

Jupyter Notebook

bookgiveaway-2022-wordcloud

Word cloud from the results of the book-giveaway

Jupyter Notebook

pycon2024

Tutorial Materials for "The Fundamentals of Modern Deep Learning with PyTorch"

rasbt/siteinterlock

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