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coding, whilst inverted
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coding, whilst inverted

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quacc is a flexible platform for computational materials science and quantum chemistry that is built for the big data era.

Python 234 67 Updated Dec 16, 2025

Examples and recipes for Llama 2 model

Python 3 2 Updated Oct 18, 2023

Code and data for the publication "Structured information extraction from scientific text with large language models" by Dagdelen & Dunn et al.

Python 121 20 Updated Dec 22, 2023

Colloid icon theme for linux desktops

Shell 944 63 Updated Nov 10, 2025

🎵 A simple, clean and cross-platform music player

TypeScript 1,994 220 Updated Dec 7, 2025

Generative materials benchmarking metrics, inspired by guacamol and CDVAE.

Jupyter Notebook 41 2 Updated Jun 1, 2024

LaTeX.css is a CSS library that makes your website look like a LaTeX document

HTML 3,412 146 Updated May 15, 2025

POT : Python Optimal Transport

Python 2,705 540 Updated Dec 16, 2025

🔍 A Hex Editor for Reverse Engineers, Programmers and people who value their retinas when working at 3 AM.

C++ 52,047 2,310 Updated Dec 20, 2025

Materials graph network with 3-body interactions featuring a DFT surrogate crystal relaxer and a state-of-the-art property predictor.

Python 307 73 Updated Apr 7, 2025

New API client for the Materials Project

Python 152 51 Updated Dec 18, 2025

RegEx-based text parser that converts chemical terms and material entities into chemical datastructure.

Python 3 5 Updated Feb 4, 2024

A tool for downloading songs from music streaming services like Spotify and Apple Music.

JavaScript 2,148 144 Updated Dec 13, 2025

Files is a single-file PHP application that can be dropped into any directory, allowing browsing of files and directories inside.

JavaScript 205 84 Updated Nov 20, 2025

Wordle-like game for guessing ICSD compounds

Python 1 Updated Jan 20, 2022

Uncertainty Toolbox: a Python toolbox for predictive uncertainty quantification, calibration, metrics, and visualization

Python 1,960 147 Updated Mar 5, 2025

Tutorials, notebooks, issue tracker, and website on the MPDS API: the data retrieval interface for the Materials Platform for Data Science

HTML 26 5 Updated Oct 13, 2025

Utility to compile string of chemical terms into data structure with chemical formula and composition

Python 13 7 Updated Sep 17, 2021

The MongoDB Database

C++ 27,848 5,724 Updated Dec 20, 2025

ChemDataExtractor Version 2.0

HTML 180 40 Updated Mar 20, 2025

A materials discovery algorithm geared towards exploring high-performance candidates in new chemical spaces.

Python 45 9 Updated Aug 20, 2024

Python for Materials Machine Learning, Materials Descriptors, Machine Learning Force Fields, Deep Learning, etc.

Jupyter Notebook 445 94 Updated Dec 1, 2025
JavaScript 398 26 Updated Mar 1, 2023

The user-friendly command line shell.

Rust 31,866 2,180 Updated Dec 19, 2025

A fast and flexible keyboard launcher

C++ 7,793 321 Updated Oct 21, 2025

Run FireWorks workflows in Google Cloud.

Python 4 1 Updated Jun 6, 2023
Python 16 2 Updated Jan 30, 2022

A long term calorie/weight loss tracking iOS application designed to help individuals stay on track with their health and fitness goals.

Swift 1 Updated Sep 20, 2021

Mirror of https://gitlab.redox-os.org/redox-os/redox

Rust 15,843 961 Updated Dec 20, 2025

MatDeepLearn, package for graph neural networks in materials chemistry

Python 200 43 Updated Mar 20, 2023
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