Python Computational-materials-science Resources

scheil A Scheil-Gulliver simulation tool using pycalphad. import matplotlib.pyplot as plt from pycalphad import Database, variables as v from scheil i

ESPEI ESPEI, or Extensible Self-optimizing Phase Equilibria Infrastructure, is a tool for thermodynamic database development within the CALPHAD method

freud Overview The freud Python library provides a simple, flexible, powerful set of tools for analyzing trajectories obtained from molecular dynamics

POS-Tagger This repository details the creation of a Part-of-Speech tagger using Trigram Hidden Markov Models to predict word tags in a word sequence.

This package is a python library with tools for the Molecular Simulation - Software Gromos. It allows you to easily set up, manage and analyze simulations in python.

A curated list of the latest breakthroughs in AI by release date with a clear video explanation, link to a more in-depth article, and code

SaxonJS-Tutorial-2021, version 1.0.4 Last updated on 4 November, 2021. Table of contents Background Prerequisites Starting a web server Running a Java

Documentation redrawing Python package provinding tools for artistic interactive applications using AI Created by ReDrawing Campinas team for the Open

edaSQL is a python library to bridge the SQL with Exploratory Data Analysis where you can connect to the Database and insert the queries. The query results can be passed to the EDA tool which can give greater insights to the user.

DIC Video Exporter DICexport is a GUI (PyQt5) to export digital image correlation videos. It offers the flexibility to choose a selected range of a vi

ZenML is an extensible, open-source MLOps framework to create production-ready machine learning pipelines. It has a simple, flexible syntax, is cloud and tool agnostic, and has interfaces/abstractions that are catered towards ML workflows.

README: GromacsWrapper A primitive Python wrapper around the Gromacs tools. The library is tested with GROMACS 4.6.5, 2018.x, 2019.x, 2020.x, and 2021

waltlabtools A collection of tools for biomedical research assay analysis in Python. Key Features Analysis for assays such as digital ELISA, including

duality Data science, Data manipulation and Machine learning package. Use permitted according to the terms of use and conditions set by the attached l

FIW Data Development Kit Table of Contents Introduction Families In the Wild Database Publications Organization To Do License Getting Involved Introdu

Planning Algorithms in AI and Robotics course T2 2021-22 The Planning Algorithms in AI and Robotics course at Skoltech, MS in Data Science, during T2,

Bioinformatics This is a repository of all the algorithms covered in the Bioinformatics Course part of the Cambridge Computer Science Tripos Algorithm

Book on Julia for Data Science

A large-scale database for graph representation learning

Python Snippet Tool A tool to get Python and data science snippets at Data Science Simplified on the command line. You can read my article to learn ho

Beehive A framework for feature exploration in Data Science Background What do we do when we finish one episode of feature exploration in a jupyter no

Make Better Defaults Author: Kjell Wooding [email protected] This is the git repo for Makefiles: One great trick for making your conda environments mo

python-is-cool A gentle guide to the Python features that I didn't know existed or was too afraid to use. This will be updated as I learn more and bec

Scalable Bayesian divergence time estimation with ratio transformations This repository contains the instructions and files to reproduce the analyses

single_snake_sequencing - sc/snRNAseq Snakemake Workflow A Snakemake workflow for standardised sc/snRNAseq analysis. Every single cell analysis is sli

Homework 2: Matplotlib and Data Visualization Overview These data visualizations were created for my introductory computer science course using Python

Machine Learning Sleep Schedule Tracker What is it? Convolutional neural network web app trained to track our infant’s sleep schedule using our Google

DQC: Differentiable Quantum Chemistry Differentiable quantum chemistry package. Currently only support differentiable density functional theory (DFT)

datascienv is package that helps your to setup your environment in single line of code with all dependency and it is also include pyforest that provide single line of import all required ml libraries

A multi-page streamlit app for the geospatial community.

UBC Math 340 Materials This repository aims to be the one repository for which you can find everything you about Math 340. Lecture Notes Lecture Notes

solar-system-pygame Controls UP/DOWN for Emulation Speed Control ESC for Pause/Unpause q to Quit c or ESC again to Continue LEFT CLICK to Add an orbit

feature-set-comp Compares various time-series feature sets on computational performance, within-set structure, and between-set relationships. Reposito

PyGMT A Python interface for the Generic Mapping Tools Documentation (development version) | Contact | Try Online Why PyGMT? A beautiful map is worth

This book was written for you: an aspiring data scientist with a quantitative background, facing down the gauntlet of the interview process in an increasingly competitive field. For most of you, the interview process is the most significant hurdle between you and a dream job.

Colour - HDRI A Python package implementing various HDRI / Radiance image processing algorithms. It is open source and freely available under the New

Colour - Demosaicing A Python package implementing various CFA (Colour Filter Array) demosaicing algorithms and related utilities. It is open source a

Uncertainty Baselines The goal of Uncertainty Baselines is to provide a template for researchers to build on. The baselines can be a starting point fo

TecoGAN This repository contains source code and materials for the TecoGAN project, i.e. code for a TEmporally COherent GAN for video super-resolution

Automatic_Background_Remover A Web API for automatic background removal using Deep Learning. App is made using Flask and deployed on Heroku. 👉 https:

Can You Solve a Problem? A beginner friendly repository that requires you to solve familiar problems with python. This could be as simple as implement

DMBGN: Deep Multi-Behaviors Graph Networks for Voucher Redemption Rate Prediction The implementation of the accepted paper "Deep Multi-Behaviors Graph

Cutout tools for astronomical images Astrocut provides tools for making cutouts from sets of astronomical images with shared footprints. It is under a

Lale is a Python library for semi-automated data science. Lale makes it easy to automatically select algorithms and tune hyperparameters of pipelines that are compatible with scikit-learn, in a type-safe fashion.

Glue Glue is a python project to link visualizations of scientific datasets across many files. Click on the image for a quick demo: Features Interacti

Transform-Invariant Non-Negative Matrix Factorization A comprehensive Python package for Non-Negative Matrix Factorization (NMF) with a focus on learn

PsychoPy is an open-source package for creating experiments in behavioral science. It aims to provide a single package that is: precise enoug

Data Science A collection of neat and practical data science and machine learning projects Explore the docs » Report Bug · Request Feature Table of Co

Cookiecutter Data Science A logical, reasonably standardized, but flexible project structure for doing and sharing data science work. Project homepage

eyes is a Public Opinion Mining System focusing on taiwanese forums such as PTT, Dcard. Features 🔥 Article monitor: helps you capture the trend at a

Economics Observatory Visualisation Repository Website | Visualisations | Data | Here you will find all the data visualisations and infographics attac

Python based Wikidata framework for easy dataframe extraction wikirepo is a Python package that provides a framework to easily source and leverage sta

PyChemia, Python Framework for Materials Discovery and Design PyChemia is an open-source Python Library for materials structural search. The purpose o

PyPi Conda The Multi-Mission Maximum Likelihood framework (3ML) A framework for multi-wavelength/multi-messenger analysis for astronomy/astrophysics.

pySPEDAS pySPEDAS is an implementation of the SPEDAS framework for Python. The Space Physics Environment Data Analysis Software (SPEDAS) framework is

Mathematical modeling is a powerful method for the analysis of complex biological systems. Although there are many researches devoted on produ

pyHype: Computational Fluid Dynamics in Python pyHype is a Python framework for developing parallelized Computational Fluid Dynamics software to solve

MaD GUI Machine Learning and Data Analytics Graphical User Interface MaD GUI is a basis for graphical annotation and computational analysis of time se

MUSCO - Multimodal Descriptions of Social Concepts Automatic Modeling of (Highly Abstract) Social Concepts evoked by Art Images This project aims to i

DataPrep — The easiest way to prepare data in Python

Universal Reddit Scraper - A comprehensive Reddit scraping command-line tool written in Python.

Evaluation of Latent Space Disentanglement in the Presence of Interdependent Attributes Supplementary materials for ISMIR 2021 LBD submission: K. N. W

A lightweight, hub-and-spoke dashboard for cross-account Data Science Projects Introduction Modern Data Science environments often involve many indepe

Useful materials and tutorials for 110-1 NTU DBME5028 (Application of Deep Learning in Medical Imaging)

Tablexplore is an application for data analysis and plotting built in Python using the PySide2/Qt toolkit.

Write maintainable, production-ready pipelines using Jupyter or your favorite text editor. Develop locally, deploy to the cloud. ☁️

Why efficient Python? Because using Python more efficiently will make your code more readable and run more efficiently.

This YoloV5 based model is fit to detect people and different types of land vehicles, and displaying their density on a fitted map, according to their

AutoTabular automates machine learning tasks enabling you to easily achieve strong predictive performance in your applications. With just a few lines of code, you can train and deploy high-accuracy machine learning and deep learning models tabular data.

D2L.ai: Interactive Deep Learning Book with Multi-Framework Code, Math, and Discussions Book website | STAT 157 Course at UC Berkeley | Latest version

Hierarchical neural-net interpretations (ACD) 🧠 Produces hierarchical interpretations for a single prediction made by a pytorch neural network. Offic

Brain Tokyo Workshop 🧠 🗼 This repo contains research materials released by members of the Google Brain team in Tokyo. Past Projects Weight Agnostic

Chemistry in python Resources Used The following items are not made by me! Click the words to go to the original source Periodic Tab Json - Used in -

Domino Research This repo contains projects under active development by the Domino R&D team. We build tools that help Data Scientists and ML engineers

With DataQA, you can label unstructured text documents using rule-based distant supervision.

Model Agnostic Confidence Estimator (MACEST) - A Python library for calibrating Machine Learning models' confidence scores

collection of interesting Computer Science resources

obsidiantools is a Python package for getting structured metadata about your Obsidian.md notes and analysing your vault.

iris Overview This is your new Kedro project, which was generated using Kedro 0.17.4. Take a look at the Kedro documentation to get started. Rules and

Rocket-Classify Rafael Project- Classifying rockets to different types using data science algorithms. In this project we received data base with data

Scitizen - Help scientific research for the benefit of mankind and humanity 🔬 Scitizen has been built from the ground up to give everyone the possibi

CS 506 - Computational Tools for Data Science Code, slides, and notes for Boston University CS506 Fall 2021 The Final Project Repository can be found

Made With ML Applied ML · MLOps · Production Join 30K+ developers in learning how to responsibly deliver value with ML. 🔥 Among the top MLOps reposit

Visions And these visions of data types, they kept us up past the dawn. Visions provides an extensible suite of tools to support common data analysis

Python Mini Projects A collection of easy Python small projects to help you improve your programming skills. Table Of Contents Aim Of The Project Cont

bartpy Python bindings for BART. Overview This repo contains code to generate an updated Python wrapper for the Berkeley Advance Reconstruction Toolbo

Python Library for generating CycloneDX This CycloneDX module for Python can generate valid CycloneDX bill-of-material document containing an aggregat

A Python framework for creating reproducible, maintainable and modular data science code.

nlcc Install pip install nlcc Must have Open-AI Codex key: export OPENAI_API_KEY=your key here then nlcc key bindings ctrl-w copy to clipboard (Note

time-series-kafka-demo Mock stream producer for time series data using Kafka. I walk through this tutorial and others here on GitHub and on my Medium

Flask and Docker Application Demo A Docker image is a read-only, inert template that comes with instructions for deploying containers. In Docker, ever

✨A Python framework to explore, label, and monitor data for NLP projects

FLAML - Fast and Lightweight AutoML

skimpy Welcome Welcome to skimpy! skimpy is a light weight tool that provides summary statistics about variables in data frames within the console. Th

MolEncoder Molecular AutoEncoder in PyTorch Install $ git clone https://github.com/cxhernandez/molencoder.git && cd molencoder $ python setup.py insta

Text Classification Baseline Pipeline for fast building text classification TF-IDF + LogReg baselines. Usage Instead of writing custom code for specif

Contrastive Learning of Object Representations Supervisor: Prof. Dr. Gemma Roig Institutions: Goethe University CVAI - Computational Vision & Artifici

Hello 🤟 #Team-Greider The team of 20 people for HackBio'2021 Virtual Bioinformatics Internship 💝 🖨️ 👨‍💻 HackBio: https://thehackbio.com 💬 Ask us

Custom Natural Language Processing with big and small models 🌲🌱

Genalog is an open source, cross-platform python package allowing generation of synthetic document images with custom degradations and text alignment capabilities.