Python Computational-materials-science Resources

Master status: Development status: Package information: TPOT stands for Tree-based Pipeline Optimization Tool. Consider TPOT your Data Science Assista

Little Ball of Fur is a graph sampling extension library for Python. Please look at the Documentation, relevant Paper, Promo video and External Resour

Karate Club is an unsupervised machine learning extension library for NetworkX. Please look at the Documentation, relevant Paper, Promo Video, and Ext

pyGAM Generalized Additive Models in Python. Documentation Official pyGAM Documentation: Read the Docs Building interpretable models with Generalized

[Due to the time taken @ uni, work + hell breaking loose in my life, since things have calmed down a bit, will continue commiting!!!] [By the way, I'm

Mlxtend (machine learning extensions) is a Python library of useful tools for the day-to-day data science tasks. Sebastian Raschka 2014-2021 Links Doc

What is xLearn? xLearn is a high performance, easy-to-use, and scalable machine learning package that contains linear model (LR), factorization machin

ReproZip ReproZip is a tool aimed at simplifying the process of creating reproducible experiments from command-line executions, a frequently-used comm

Orange Data Mining Orange is a data mining and visualization toolbox for novice and expert alike. To explore data with Orange, one requires no program

The latest information about Galaxy can be found on the Galaxy Community Hub. Community support is available at Galaxy Help. Galaxy Quickstart Galaxy

A Python library that helps data scientists to infer causation rather than observing correlation.

Website • Docs • Blog • Twitter • Chat (Community & Support) • Tutorial • Mailing List Data Version Control or DVC is an open-source tool for data sci

Materials and information for PyCascades 2021 Presentation: Sparking Creativity in LED Art with CircuitPython

MazeRL is an application oriented Deep Reinforcement Learning (RL) framework, addressing real-world decision problems. Our vision is to cover the complete development life cycle of RL applications ranging from simulation engineering up to agent development, training and deployment.

Boltons boltons should be builtins. Boltons is a set of over 230 BSD-licensed, pure-Python utilities in the same spirit as — and yet conspicuously mis

A PyTorch implementation of "Pathfinder Discovery Networks for Neural Message Passing" (WebConf 2021). Abstract In this work we propose Pathfind

SeaLion is designed to teach today's aspiring ml-engineers the popular machine learning concepts of today in a way that gives both intuition and ways of application. We do this through concise algorithms that do the job in the least jargon possible and examples to guide you through every step of the way.

gensim – Topic Modelling in Python Gensim is a Python library for topic modelling, document indexing and similarity retrieval with large corpora. Targ

YouTokenToMe YouTokenToMe is an unsupervised text tokenizer focused on computational efficiency. It currently implements fast Byte Pair Encoding (BPE)

Scattertext 0.1.0.0 A tool for finding distinguishing terms in corpora and displaying them in an interactive HTML scatter plot. Points corresponding t

An Apache 2.0 NLP research library, built on PyTorch, for developing state-of-the-art deep learning models on a wide variety of linguistic tasks. Quic

spaCy: Industrial-strength NLP spaCy is a library for advanced Natural Language Processing in Python and Cython. It's built on the very latest researc

pivottablejs: the Python module Drag’n’drop Pivot Tables and Charts for Jupyter/IPython Notebook, care of PivotTable.js Installation pip install pivot

Lets-Plot Lets-Plot is an open-source plotting library for statistical data. It is implemented using the Kotlin programming language. The design of Le

In-depth EDA (target analysis, comparison, feature analysis, correlation) in two lines of code! Sweetviz is an open-source Python library that generat

Chartify Chartify is a Python library that makes it easy for data scientists to create charts. Why use Chartify? Consistent input data format: Spend l

PyVista Deployment Build Status Metrics Citation License Community 3D plotting and mesh analysis through a streamlined interface for the Visualization

Pandas Profiling Documentation | Slack | Stack Overflow Generates profile reports from a pandas DataFrame. The pandas df.describe() function is great

Dash Dash is the most downloaded, trusted Python framework for building ML & data science web apps. Built on top of Plotly.js, React and Flask, Dash t

seaborn: statistical data visualization Seaborn is a Python visualization library based on matplotlib. It provides a high-level interface for drawing

cochlea cochlea is a collection of inner ear models. All models are easily accessible as Python functions. They take sound signal as input and return

Jupter Notebook REST API Run your jupyter notebooks as a REST API endpoint. This isn't a jupyter server but rather just a way to run your notebooks as

khan-dl A python script to download courses from Khan Academy using youtube-dl and beautifulsoup4.

CJK computer science terms comparison This repository contains the source code of the website. You can see the website from the following link: Englis

gensim – Topic Modelling in Python Gensim is a Python library for topic modelling, document indexing and similarity retrieval with large corpora. Targ

YouTokenToMe YouTokenToMe is an unsupervised text tokenizer focused on computational efficiency. It currently implements fast Byte Pair Encoding (BPE)

Scattertext 0.1.0.0 A tool for finding distinguishing terms in corpora and displaying them in an interactive HTML scatter plot. Points corresponding t

An Apache 2.0 NLP research library, built on PyTorch, for developing state-of-the-art deep learning models on a wide variety of linguistic tasks. Quic

spaCy: Industrial-strength NLP spaCy is a library for advanced Natural Language Processing in Python and Cython. It's built on the very latest researc

pivottablejs: the Python module Drag’n’drop Pivot Tables and Charts for Jupyter/IPython Notebook, care of PivotTable.js Installation pip install pivot

Lets-Plot Lets-Plot is an open-source plotting library for statistical data. It is implemented using the Kotlin programming language. The design of Le

In-depth EDA (target analysis, comparison, feature analysis, correlation) in two lines of code! Sweetviz is an open-source Python library that generat

Chartify Chartify is a Python library that makes it easy for data scientists to create charts. Why use Chartify? Consistent input data format: Spend l

PyVista Deployment Build Status Metrics Citation License Community 3D plotting and mesh analysis through a streamlined interface for the Visualization

Pandas Profiling Documentation | Slack | Stack Overflow Generates profile reports from a pandas DataFrame. The pandas df.describe() function is great

Dash Dash is the most downloaded, trusted Python framework for building ML & data science web apps. Built on top of Plotly.js, React and Flask, Dash t

seaborn: statistical data visualization Seaborn is a Python visualization library based on matplotlib. It provides a high-level interface for drawing

fklearn: Functional Machine Learning fklearn uses functional programming principles to make it easier to solve real problems with Machine Learning. Th

The SHOGUN machine learning toolbox Unified and efficient Machine Learning since 1999. Latest release: Cite Shogun: Develop branch build status: Donat

What is xLearn? xLearn is a high performance, easy-to-use, and scalable machine learning package that contains linear model (LR), factorization machin

TFLearn: Deep learning library featuring a higher-level API for TensorFlow. TFlearn is a modular and transparent deep learning library built on top of

Website | Documentation | Tutorials | Installation | Release Notes CatBoost is a machine learning method based on gradient boosting over decision tree

The lightweight PyTorch wrapper for high-performance AI research. Scale your models, not the boilerplate. Website • Key Features • How To Use • Docs •

Keras: Deep Learning for Python Under Construction In the near future, this repository will be used once again for developing the Keras codebase. For

scikit-learn is a Python module for machine learning built on top of SciPy and is distributed under the 3-Clause BSD license. The project was started

lazydata: scalable data dependencies lazydata is a minimalist library for including data dependencies into Python projects. Problem: Keeping all data

AWS Data Wrangler Pandas on AWS Easy integration with Athena, Glue, Redshift, Timestream, QuickSight, Chime, CloudWatchLogs, DynamoDB, EMR, SecretMana

lazynlp A straightforward library that allows you to crawl, clean up, and deduplicate webpages to create massive monolingual datasets. Using this libr

Best-of Machine Learning with Python 🏆 A ranked list of awesome machine learning Python libraries. Updated weekly. This curated list contains 840 awe

BudgetML is perfect for practitioners who would like to quickly deploy their models to an endpoint, but not waste a lot of time, money, and effort trying to figure out how to do this end-to-end.

⚾ Automatically overlaying pitch motion and trajectory with machine learning! This project takes your baseball pitching clips and automatically genera

VisualizingTwitchCommunities This project maps communities of streamers on Twitch.tv based on shared viewership. The data is collected from the Twitch

Hyrule Compendium API An API serving data on all creatures, monsters, materials, equipment, and treasure in The Legend of Zelda: Breath of the Wild. B

Soda SQL Data testing, monitoring and profiling for SQL accessible data. What does Soda SQL do? Soda SQL allows you to Stop your pipeline when bad dat

SymPy See the AUTHORS file for the list of authors. And many more people helped on the SymPy mailing list, reported bugs, helped organize SymPy's part

Karate Club is an unsupervised machine learning extension library for NetworkX. Please look at the Documentation, relevant Paper, Promo Video, and Ext

Boltons boltons should be builtins. Boltons is a set of over 230 BSD-licensed, pure-Python utilities in the same spirit as — and yet conspicuously mis

Welcome to TensorWatch TensorWatch is a debugging and visualization tool designed for data science, deep learning and reinforcement learning from Micr

Dash Dash is the most downloaded, trusted Python framework for building ML & data science web apps. Built on top of Plotly.js, React and Flask, Dash t

Table of contents Overview Installation Usage Document Try PyCM in Your Browser Issues & Bug Reports Todo Outputs Dependencies Contribution References

Installation | Documentation | Gitter Chat | Google Group Bowtie Introduction Bowtie is a library for writing dashboards in Python. No need to know we

Welcome to Scikit-plot Single line functions for detailed visualizations The quickest and easiest way to go from analysis... ...to this. Scikit-plot i

Superset A modern, enterprise-ready business intelligence web application. Why Superset? | Supported Databases | Installation and Configuration | Rele

gensim – Topic Modelling in Python Gensim is a Python library for topic modelling, document indexing and similarity retrieval with large corpora. Targ

Yase Yet Another Sequence Encoder - encode sequences to vector of vectors in python ! Why Yase ? Yase enable you to encode any sequence which can be r

spaCy: Industrial-strength NLP spaCy is a library for advanced Natural Language Processing in Python and Cython. It's built on the very latest researc

Colibri Core by Maarten van Gompel, [email protected], Radboud University Nijmegen Licensed under GPLv3 (See http://www.gnu.org/licenses/gpl-3.0.html

Ucto for Python This is a Python binding to the tokeniser Ucto. Tokenisation is one of the first step in almost any Natural Language Processing task,

Rosetta Tools for data science with a focus on text processing. Focuses on "medium data", i.e. data too big to fit into memory but too small to necess

Note: We just launched Hosted, where anyone can upload their interface for permanent hosting. Check it out! Welcome to Gradio Quickly create customiza

Welcome to sktime A unified framework for machine learning with time series We provide specialized time series algorithms and scikit-learn compatible

PyGrid is a peer-to-peer network of data owners and data scientists who can collectively train AI models using PySyft. PyGrid is also the central serv

MLJAR Automated Machine Learning Documentation: https://supervised.mljar.com/ Source Code: https://github.com/mljar/mljar-supervised Table of Contents

In a nutshell River is a Python library for online machine learning. It is the result of a merger between creme and scikit-multiflow. River's ambition

MiraiML Mirai: future in japanese. MiraiML is an asynchronous engine for continuous & autonomous machine learning, built for real-time usage. Usage In

Recommenders What's New (February 4, 2021) We have a new relase Recommenders 2021.2! It comes with lots of bug fixes, optimizations and 3 new algorith

What is xLearn? xLearn is a high performance, easy-to-use, and scalable machine learning package that contains linear model (LR), factorization machin

Website | Documentation | Tutorials | Installation | Release Notes CatBoost is a machine learning method based on gradient boosting over decision tree

Machine Learning From Scratch About Python implementations of some of the fundamental Machine Learning models and algorithms from scratch. The purpose

The lightweight PyTorch wrapper for high-performance AI research. Scale your models, not the boilerplate. Website • Key Features • How To Use • Docs •

Xcessiv Xcessiv is a tool to help you create the biggest, craziest, and most excessive stacked ensembles you can think of. Stacked ensembles are simpl

TFLearn: Deep learning library featuring a higher-level API for TensorFlow. TFlearn is a modular and transparent deep learning library built on top of

Master status: Development status: Package information: TPOT stands for Tree-based Pipeline Optimization Tool. Consider TPOT your Data Science Assista

Mlxtend (machine learning extensions) is a Python library of useful tools for the day-to-day data science tasks. Sebastian Raschka 2014-2020 Links Doc

The SHOGUN machine learning toolbox Unified and efficient Machine Learning since 1999. Latest release: Cite Shogun: Develop branch build status: Donat

gensim – Topic Modelling in Python Gensim is a Python library for topic modelling, document indexing and similarity retrieval with large corpora. Targ

Bayesian Methods for Hackers Using Python and PyMC The Bayesian method is the natural approach to inference, yet it is hidden from readers behind chap

auto_ml Automated machine learning for production and analytics Installation pip install auto_ml Getting started from auto_ml import Predictor from au

Steppy What is Steppy? Steppy is a lightweight, open-source, Python 3 library for fast and reproducible experimentation. Steppy lets data scientist fo

Python Outlier Detection (PyOD) Deployment & Documentation & Stats Build Status & Coverage & Maintainability & License PyOD is a comprehensive and sca