Awesome Python Data Science

Probably the best curated list of data science software in Python

Contents

• Machine Learning
• Deep Learning
• Data Manipulation
• Feature Engineering
• Visualization
• Model Explanation
• Reinforcement Learning
• Probabilistic Methods
• Genetic Programming
• Optimization
• Natural Language Processing
• Computer Audition
• Computer Vision
• Statistics
• Distributed Computing
• Experimentation
• Evaluation
• Computations
• Spatial Analysis
• Quantum Computing
• Conversion

Machine Learning

General Purpouse Machine Learning

• scikit-learn - Machine learning in Python.
• Shogun - Machine learning toolbox.
• xLearn - High Performance, Easy-to-use, and Scalable Machine Learning Package.
• cuML - RAPIDS Machine Learning Library.
• modAL - Modular active learning framework for Python3.
• Sparkit-learn - PySpark + scikit-learn = Sparkit-learn.
• mlpack - A scalable C++ machine learning library (Python bindings).
• dlib - Toolkit for making real world machine learning and data analysis applications in C++ (Python bindings).
• MLxtend - Extension and helper modules for Python's data analysis and machine learning libraries.
• hyperlearn - 50%+ Faster, 50%+ less RAM usage, GPU support re-written Sklearn, Statsmodels.
• Reproducible Experiment Platform (REP) - Machine Learning toolbox for Humans.
• scikit-multilearn - Multi-label classification for python.
• seqlearn - Sequence classification toolkit for Python.
• pystruct - Simple structured learning framework for Python.
• sklearn-expertsys - Highly interpretable classifiers for scikit learn, producing easily understood decision rules instead of black box models.
• RuleFit - Implementation of the rulefit.
• metric-learn - Metric learning algorithms in Python.
• pyGAM - Generalized Additive Models in Python.
• Karate Club - An unsupervised machine learning library for graph structured data.

Time Series

• tslearn - Machine learning toolkit dedicated to time-series data.
• tick - Module for statistical learning, with a particular emphasis on time-dependent modelling.
• Prophet - Automatic Forecasting Procedure.
• PyFlux - Open source time series library for Python.
• bayesloop - Probabilistic programming framework that facilitates objective model selection for time-varying parameter models.
• luminol - Anomaly Detection and Correlation library.

Automated Machine Learning

• TPOT - Automated Machine Learning tool that optimizes machine learning pipelines using genetic programming.
• auto-sklearn - An automated machine learning toolkit and a drop-in replacement for a scikit-learn estimator.
• MLBox - A powerful Automated Machine Learning python library.

Ensemble Methods

• ML-Ensemble - High performance ensemble learning.
• Stacking - Simple and useful stacking library, written in Python.
• stacked_generalization - Library for machine learning stacking generalization.
• vecstack - Python package for stacking (machine learning technique).

Imbalanced Datasets

• imbalanced-learn - Module to perform under sampling and over sampling with various techniques.
• imbalanced-algorithms - Python-based implementations of algorithms for learning on imbalanced data.

Random Forests

• rpforest - A forest of random projection trees.
• sklearn-random-bits-forest - Wrapper of the Random Bits Forest program written by (Wang et al., 2016).
• rgf_python - Python Wrapper of Regularized Greedy Forest.

Extreme Learning Machine

• Python-ELM - Extreme Learning Machine implementation in Python.
• Python Extreme Learning Machine (ELM) - A machine learning technique used for classification/regression tasks.
• hpelm - High performance implementation of Extreme Learning Machines (fast randomized neural networks).

Kernel Methods

• pyFM - Factorization machines in python.
• fastFM - A library for Factorization Machines.
• tffm - TensorFlow implementation of an arbitrary order Factorization Machine.
• liquidSVM - An implementation of SVMs.
• scikit-rvm - Relevance Vector Machine implementation using the scikit-learn API.
• ThunderSVM - A fast SVM Library on GPUs and CPUs.

Gradient Boosting

• XGBoost - Scalable, Portable and Distributed Gradient Boosting.
• LightGBM - A fast, distributed, high performance gradient boosting.
• CatBoost - An open-source gradient boosting on decision trees library.
• ThunderGBM - Fast GBDTs and Random Forests on GPUs.

Deep Learning

PyTorch

• PyTorch - Tensors and Dynamic neural networks in Python with strong GPU acceleration.
• torchvision - Datasets, Transforms and Models specific to Computer Vision.
• torchtext - Data loaders and abstractions for text and NLP.
• torchaudio - An audio library for PyTorch.
• ignite - High-level library to help with training neural networks in PyTorch.
• PyToune - A Keras-like framework and utilities for PyTorch.
• skorch - A scikit-learn compatible neural network library that wraps pytorch.
• PyTorchNet - An abstraction to train neural networks.
• Aorun - Intend to implement an API similar to Keras with PyTorch as backend.
• pytorch_geometric - Geometric Deep Learning Extension Library for PyTorch.
• Catalyst - High-level utils for PyTorch DL & RL research.

TensorFlow

• TensorFlow - Computation using data flow graphs for scalable machine learning by Google.
• TensorLayer - Deep Learning and Reinforcement Learning Library for Researcher and Engineer.
• TFLearn - Deep learning library featuring a higher-level API for TensorFlow.
• Sonnet - TensorFlow-based neural network library.
• tensorpack - A Neural Net Training Interface on TensorFlow.
• Polyaxon - A platform that helps you build, manage and monitor deep learning models.
• NeuPy - NeuPy is a Python library for Artificial Neural Networks and Deep Learning (previously: ).
• tfdeploy - Deploy tensorflow graphs for fast evaluation and export to tensorflow-less environments running numpy.
• tensorflow-upstream - TensorFlow ROCm port.
• TensorFlow Fold - Deep learning with dynamic computation graphs in TensorFlow.
• tensorlm - Wrapper library for text generation / language models at char and word level with RNN.
• TensorLight - A high-level framework for TensorFlow.
• Mesh TensorFlow - Model Parallelism Made Easier.
• Ludwig - A toolbox, that allows to train and test deep learning models without the need to write code.

Keras

• Keras - A high-level neural networks API, written in Python and capable of running on top of TensorFlow, CNTK, or Theano.
• keras-contrib - Keras community contributions.
• Hyperas - Keras + Hyperopt: A very simple wrapper for convenient hyperparameter.
• Elephas - Distributed Deep learning with Keras & Spark.
• Hera - Train/evaluate a Keras model, get metrics streamed to a dashboard in your browser.
• Spektral - Deep learning on graphs.
• qkeras - A quantization deep learning library.

MXNet

• MXNet - Lightweight, Portable, Flexible Distributed/Mobile Deep Learning with Dynamic, Mutation-aware Dataflow Dep Scheduler.
• Gluon - A clear, concise, simple yet powerful and efficient API for deep learning (now included in MXNet).
• MXbox - Simple, efficient and flexible vision toolbox for mxnet framework.
• gluon-cv - Provides implementations of the state-of-the-art deep learning models in computer vision.
• gluon-nlp - NLP made easy.
• Xfer - Transfer Learning library for Deep Neural Networks.
• MXNet - HIP Port of MXNet.

Chainer

• Chainer - A flexible framework for neural networks.
• ChainerCV - A Library for Deep Learning in Computer Vision.
• ChainerMN - Scalable distributed deep learning with Chainer.

Theano

WARNING: Theano development has been stopped

• Theano - A Python library that allows you to define, optimize, and evaluate mathematical expressions.
• Lasagne - Lightweight library to build and train neural networks in Theano.
• nolearn - A scikit-learn compatible neural network library (mainly for Lasagne).
• Blocks - A Theano framework for building and training neural networks.
• scikit-neuralnetwork - Deep neural networks without the learning cliff.
• platoon - Multi-GPU mini-framework for Theano.
• Theano-MPI - MPI Parallel framework for training deep learning models built in Theano.

Others

• CNTK - Microsoft Cognitive Toolkit (CNTK), an open source deep-learning toolkit.
• Neon - Intel® Nervana™ reference deep learning framework committed to best performance on all hardware.
• Tangent - Source-to-Source Debuggable Derivatives in Pure Python.
• autograd - Efficiently computes derivatives of numpy code.
• Myia - Deep Learning framework (pre-alpha).
• nnabla - Neural Network Libraries by Sony.
• Caffe - A fast open framework for deep learning.
• Caffe2 - A lightweight, modular, and scalable deep learning framework (now a part of PyTorch).
• hipCaffe - The HIP port of Caffe.

Data Manipulation

Data Containers

• pandas - Powerful Python data analysis toolkit.
• cuDF - GPU DataFrame Library.
• blaze - NumPy and pandas interface to Big Data.
• pandasql - Allows you to query pandas DataFrames using SQL syntax.
• pandas-gbq - pandas Google Big Query.
• xpandas - Universal 1d/2d data containers with Transformers .functionality for data analysis by The Alan Turing Institute.
• pysparkling - A pure Python implementation of Apache Spark's RDD and DStream interfaces.
• Arctic - High performance datastore for time series and tick data.
• datatable - Data.table for Python.
• koalas - pandas API on Apache Spark.
• modin - Speed up your pandas workflows by changing a single line of code.
• swifter - A package which efficiently applies any function to a pandas dataframe or series in the fastest available manner.
• pandas_flavor - A package which allow to write your own flavor of Pandas easily.
• pandas-log - A package which allow to provide feedback about basic pandas operations and find both buisness logic and performance issues.

Pipelines

• pdpipe - Sasy pipelines for pandas DataFrames.
• SSPipe - Python pipe (|) operator with support for DataFrames and Numpy and Pytorch.
• pandas-ply - Functional data manipulation for pandas.
• Dplython - Dplyr for Python.
• sklearn-pandas - pandas integration with sklearn.
• Dataset - Helps you conveniently work with random or sequential batches of your data and define data processing.
• pyjanitor - Clean APIs for data cleaning.
• meza - A Python toolkit for processing tabular data.
• Prodmodel - Build system for data science pipelines.
• dopanda - Hints and tips for using pandas in an analysis environment.

Feature Engineering

General

• Featuretools - Automated feature engineering.
• skl-groups - A scikit-learn addon to operate on set/"group"-based features.
• Feature Forge - A set of tools for creating and testing machine learning feature.
• few - A feature engineering wrapper for sklearn.
• scikit-mdr - A sklearn-compatible Python implementation of Multifactor Dimensionality Reduction (MDR) for feature construction.
• tsfresh - Automatic extraction of relevant features from time series.

Feature Selection

• scikit-feature - Feature selection repository in python.
• boruta_py - Implementations of the Boruta all-relevant feature selection method.
• BoostARoota - A fast xgboost feature selection algorithm.
• scikit-rebate - A scikit-learn-compatible Python implementation of ReBATE, a suite of Relief-based feature selection algorithms for Machine Learning.

Visualization

• Matplotlib - Plotting with Python.
• seaborn - Statistical data visualization using matplotlib.
• Bokeh - Interactive Web Plotting for Python.
• HoloViews - Stop plotting your data - annotate your data and let it visualize itself.
• prettyplotlib - Painlessly create beautiful matplotlib plots.
• python-ternary - Ternary plotting library for python with matplotlib.
• missingno - Missing data visualization module for Python.
• chartify - Python library that makes it easy for data scientists to create charts.
• physt - Improved histograms.
• animatplot - A python package for animating plots build on matplotlib.
• plotly - A Python library that makes interactive and publication-quality graphs.

Model Explanation

• Alibi - Algorithms for monitoring and explaining machine learning models.
• anchor - Code for "High-Precision Model-Agnostic Explanations" paper.
• aequitas - Bias and Fairness Audit Toolkit.
• Contrastive Explanation - Contrastive Explanation (Foil Trees).
• yellowbrick - Visual analysis and diagnostic tools to facilitate machine learning model selection.
• scikit-plot - An intuitive library to add plotting functionality to scikit-learn objects.
• shap - A unified approach to explain the output of any machine learning model.
• ELI5 - A library for debugging/inspecting machine learning classifiers and explaining their predictions.
• Lime - Explaining the predictions of any machine learning classifier.
• FairML - FairML is a python toolbox auditing the machine learning models for bias.
• L2X - Code for replicating the experiments in the paper Learning to Explain: An Information-Theoretic Perspective on Model Interpretation.
• PDPbox - Partial dependence plot toolbox.
• pyBreakDown - Python implementation of R package breakDown.
• PyCEbox - Python Individual Conditional Expectation Plot Toolbox.
• Skater - Python Library for Model Interpretation.
• model-analysis - Model analysis tools for TensorFlow.
• themis-ml - A library that implements fairness-aware machine learning algorithms.
• treeinterpreter - Interpreting scikit-learn's decision tree and random forest predictions.
• AI Explainability 360 - Interpretability and explainability of data and machine learning models.
• Auralisation - Auralisation of learned features in CNN (for audio).
• CapsNet-Visualization - A visualization of the CapsNet layers to better understand how it works.
• lucid - A collection of infrastructure and tools for research in neural network interpretability.
• Netron - Visualizer for deep learning and machine learning models (no Python code, but visualizes models from most Python Deep Learning frameworks).
• FlashLight - Visualization Tool for your NeuralNetwork.
• tensorboard-pytorch - Tensorboard for pytorch (and chainer, mxnet, numpy, ...).
• mxboard - Logging MXNet data for visualization in TensorBoard.

Reinforcement Learning

• OpenAI Gym - A toolkit for developing and comparing reinforcement learning algorithms.
• Coach - Easy experimentation with state of the art Reinforcement Learning algorithms.
• garage - A toolkit for reproducible reinforcement learning research.
• OpenAI Baselines - High-quality implementations of reinforcement learning algorithms.
• Stable Baselines - A set of improved implementations of reinforcement learning algorithms based on OpenAI Baselines.
• RLlib - Scalable Reinforcement Learning.
• Horizon - A platform for Applied Reinforcement Learning.
• TF-Agents - A library for Reinforcement Learning in TensorFlow.
• TensorForce - A TensorFlow library for applied reinforcement learning.
• TRFL - TensorFlow Reinforcement Learning.
• Dopamine - A research framework for fast prototyping of reinforcement learning algorithms.
• keras-rl - Deep Reinforcement Learning for Keras.
• ChainerRL - A deep reinforcement learning library built on top of Chainer.

Distributed Computing

• Horovod - Distributed training framework for TensorFlow, Keras, PyTorch, and Apache MXNet.
• PySpark - Exposes the Spark programming model to Python.
• Veles - Distributed machine learning platform.
• Jubatus - Framework and Library for Distributed Online Machine Learning.
• DMTK - Microsoft Distributed Machine Learning Toolkit.
• PaddlePaddle - PArallel Distributed Deep LEarning.
• dask-ml - Distributed and parallel machine learning.
• Distributed - Distributed computation in Python.

Probabilistic Methods

• pomegranate - Probabilistic and graphical models for Python.
• pyro - A flexible, scalable deep probabilistic programming library built on PyTorch.
• ZhuSuan - Bayesian Deep Learning.
• PyMC - Bayesian Stochastic Modelling in Python.
• PyMC3 - Python package for Bayesian statistical modeling and Probabilistic Machine Learning.
• sampled - Decorator for reusable models in PyMC3.
• Edward - A library for probabilistic modeling, inference, and criticism.
• InferPy - Deep Probabilistic Modelling Made Easy.
• GPflow - Gaussian processes in TensorFlow.
• PyStan - Bayesian inference using the No-U-Turn sampler (Python interface).
• gelato - Bayesian dessert for Lasagne.
• sklearn-bayes - Python package for Bayesian Machine Learning with scikit-learn API.
• skggm - Estimation of general graphical models.
• pgmpy - A python library for working with Probabilistic Graphical Models.
• skpro - Supervised domain-agnostic prediction framework for probabilistic modelling by The Alan Turing Institute.
• Aboleth - A bare-bones TensorFlow framework for Bayesian deep learning and Gaussian process approximation.
• PtStat - Probabilistic Programming and Statistical Inference in PyTorch.
• PyVarInf - Bayesian Deep Learning methods with Variational Inference for PyTorch.
• emcee - The Python ensemble sampling toolkit for affine-invariant MCMC.
• hsmmlearn - A library for hidden semi-Markov models with explicit durations.
• pyhsmm - Bayesian inference in HSMMs and HMMs.
• GPyTorch - A highly efficient and modular implementation of Gaussian Processes in PyTorch.
• MXFusion - Modular Probabilistic Programming on MXNet.
• sklearn-crfsuite - A scikit-learn inspired API for CRFsuite.

Genetic Programming

• gplearn - Genetic Programming in Python.
• DEAP - Distributed Evolutionary Algorithms in Python.
• karoo_gp - A Genetic Programming platform for Python with GPU support.
• monkeys - A strongly-typed genetic programming framework for Python.
• sklearn-genetic - Genetic feature selection module for scikit-learn.

Optimization

• Spearmint - Bayesian optimization.
• BoTorch - Bayesian optimization in PyTorch.
• scikit-opt - Heuristic Algorithms for optimization.
• SMAC3 - Sequential Model-based Algorithm Configuration.
• Optunity - Is a library containing various optimizers for hyperparameter tuning.
• hyperopt - Distributed Asynchronous Hyperparameter Optimization in Python.
• hyperopt-sklearn - Hyper-parameter optimization for sklearn.
• sklearn-deap - Use evolutionary algorithms instead of gridsearch in scikit-learn.
• sigopt_sklearn - SigOpt wrappers for scikit-learn methods.
• Bayesian Optimization - A Python implementation of global optimization with gaussian processes.
• SafeOpt - Safe Bayesian Optimization.
• scikit-optimize - Sequential model-based optimization with a scipy.optimize interface.
• Solid - A comprehensive gradient-free optimization framework written in Python.
• PySwarms - A research toolkit for particle swarm optimization in Python.
• Platypus - A Free and Open Source Python Library for Multiobjective Optimization.
• GPflowOpt - Bayesian Optimization using GPflow.
• POT - Python Optimal Transport library.
• Talos - Hyperparameter Optimization for Keras Models.
• nlopt - Library for nonlinear optimization (global and local, constrained or unconstrained).

Natural Language Processing

• NLTK - Modules, data sets, and tutorials supporting research and development in Natural Language Processing.
• CLTK - The Classical Language Toolkik.
• gensim - Topic Modelling for Humans.
• PSI-Toolkit - A natural language processing toolkit.
• pyMorfologik - Python binding for Morfologik.
• skift - Scikit-learn wrappers for Python fastText.
• Phonemizer - Simple text to phonemes converter for multiple languages.
• flair - Very simple framework for state-of-the-art NLP.
• spaCy - Industrial-Strength Natural Language Processing.

Computer Audition

• librosa - Python library for audio and music analysis.
• Yaafe - Audio features extraction.
• aubio - A library for audio and music analysis.
• Essentia - Library for audio and music analysis, description and synthesis.
• LibXtract - A simple, portable, lightweight library of audio feature extraction functions.
• Marsyas - Music Analysis, Retrieval and Synthesis for Audio Signals.
• muda - A library for augmenting annotated audio data.
• madmom - Python audio and music signal processing library.

Computer Vision

• OpenCV - Open Source Computer Vision Library.
• scikit-image - Image Processing SciKit (Toolbox for SciPy).
• imgaug - Image augmentation for machine learning experiments.
• imgaug_extension - Additional augmentations for imgaug.
• Augmentor - Image augmentation library in Python for machine learning.
• albumentations - Fast image augmentation library and easy to use wrapper around other libraries.

Statistics

• pandas_summary - Extension to pandas dataframes describe function.
• Pandas Profiling - Create HTML profiling reports from pandas DataFrame objects.
• statsmodels - Statistical modeling and econometrics in Python.
• stockstats - Supply a wrapper StockDataFrame based on the pandas.DataFrame with inline stock statistics/indicators support.
• weightedcalcs - A pandas-based utility to calculate weighted means, medians, distributions, standard deviations, and more.
• scikit-posthocs - Pairwise Multiple Comparisons Post-hoc Tests.
• Alphalens - Performance analysis of predictive (alpha) stock factors.

Distributed Computing

• Horovod - Distributed training framework for TensorFlow, Keras, PyTorch, and Apache MXNet.
• PySpark - Exposes the Spark programming model to Python.
• Veles - Distributed machine learning platform.
• Jubatus - Framework and Library for Distributed Online Machine Learning.
• DMTK - Microsoft Distributed Machine Learning Toolkit.
• PaddlePaddle - PArallel Distributed Deep LEarning.
• dask-ml - Distributed and parallel machine learning.
• Distributed - Distributed computation in Python.

Experimentation

• Sacred - A tool to help you configure, organize, log and reproduce experiments.
• Xcessiv - A web-based application for quick, scalable, and automated hyperparameter tuning and stacked ensembling.
• Persimmon - A visual dataflow programming language for sklearn.
• Ax - Adaptive Experimentation Platform.
• Neptune - A lightweight ML experiment tracking, results visualization and management tool.

Evaluation

• recmetrics - Library of useful metrics and plots for evaluating recommender systems.
• Metrics - Machine learning evaluation metric.
• sklearn-evaluation - Model evaluation made easy: plots, tables and markdown reports.
• AI Fairness 360 - Fairness metrics for datasets and ML models, explanations and algorithms to mitigate bias in datasets and models.

Computations

• numpy - The fundamental package needed for scientific computing with Python.
• Dask - Parallel computing with task scheduling.
• bottleneck - Fast NumPy array functions written in C.
• CuPy - NumPy-like API accelerated with CUDA.
• scikit-tensor - Python library for multilinear algebra and tensor factorizations.
• numdifftools - Solve automatic numerical differentiation problems in one or more variables.
• quaternion - Add built-in support for quaternions to numpy.
• adaptive - Tools for adaptive and parallel samping of mathematical functions.

Spatial Analysis

• GeoPandas - Python tools for geographic data.
• PySal - Python Spatial Analysis Library.

Quantum Computing

• PennyLane - Quantum machine learning, automatic differentiation, and optimization of hybrid quantum-classical computations.
• QML - A Python Toolkit for Quantum Machine Learning.

Conversion

• sklearn-porter - Transpile trained scikit-learn estimators to C, Java, JavaScript and others.
• ONNX - Open Neural Network Exchange.
• MMdnn - A set of tools to help users inter-operate among different deep learning frameworks.

Contributing

Contributions are welcome! 😎
Read the contribution guideline.

License

This work is licensed under the Creative Commons Attribution 4.0 International License - CC BY 4.0

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