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The one and only agent harness for complex codebases. Project memory, planning, execution, and verified completion inside Codex.

TypeScript 1,192 66 Updated Jun 18, 2026

The best-benchmarked open-source AI memory system. And it's free.

Python 55,915 7,245 Updated Jun 15, 2026

Master programming by recreating your favorite technologies from scratch.

Markdown 516,931 48,928 Updated Feb 21, 2026

Biomolecular simulation trajectory/data analysis.

C++ 165 69 Updated Jun 4, 2026

mdml: Deep Learning for Molecular Simulations

Python 55 9 Updated May 17, 2025

Tutorials on doing AMBER based Metadynamics and Gaussian Accelerated MD (GaMD)

Python 12 3 Updated Dec 1, 2025

🚂 Python API for Emma's Markov Model Algorithms 🚂

Python 339 126 Updated Sep 11, 2023

A deep learning package for many-body potential energy representation and molecular dynamics

Python 1,970 622 Updated Jun 18, 2026

How to use Nextflow to deploy tasks on HPC

7 2 Updated Jun 24, 2024

[NO LONGER MAINTAINED] Command-line utility for auto-generating subtitles for any video file

Python 4,197 1,635 Updated Mar 22, 2024

AutoGPT is the vision of accessible AI for everyone, to use and to build on. Our mission is to provide the tools, so that you can focus on what matters.

Python 185,017 46,132 Updated Jun 18, 2026

🐸💬 - a deep learning toolkit for Text-to-Speech, battle-tested in research and production

Python 45,583 6,117 Updated Aug 16, 2024

The automation scripts I use for my weekly arxiv paper summary videos

Python 22 9 Updated Feb 2, 2025

Example project template from my DockerCon 2021 talk

Shell 38 8 Updated Dec 6, 2022

Python Materials Genomics (pymatgen) is a robust materials analysis code that defines classes for structures and molecules with support for many electronic structure codes. It powers the Materials …

Python 1,909 952 Updated Jun 17, 2026

New API client for the Materials Project

Python 174 55 Updated Jun 15, 2026

A latent text-to-image diffusion model

Jupyter Notebook 73,128 10,598 Updated Jun 18, 2024

userChrome.css file for a Zotero dark theme. Suggestions for improvements are welcome.

CSS 718 92 Updated Jan 26, 2024

NequIP is a code for building E(3)-equivariant interatomic potentials

Python 924 211 Updated Jun 10, 2026

Code repository for a tutorial based on the "Direct prediction of phonon density of states with Euclidean neural networks"

Jupyter Notebook 31 8 Updated Nov 11, 2023

🚀✨ Help beginners to contribute to open source projects

54,527 104,496 Updated Jun 18, 2026

Code Repository for "Direct prediction of phonon density of states with Euclidean neural network"

Jupyter Notebook 1 Updated Aug 23, 2022

Code Repository for "Direct prediction of phonon density of states with Euclidean neural network"

Jupyter Notebook 29 8 Updated May 19, 2022

A modular framework for neural networks with Euclidean symmetry

Python 1,262 184 Updated Feb 13, 2026

ANI-1 neural net potential with python interface (ASE)

Python 1 Updated Dec 14, 2020

The personal blog of Larry Rodriguez

HTML 1 Updated Dec 23, 2025

ANI-1 neural net potential with python interface (ASE)

Python 229 54 Updated Mar 11, 2024

SchNetPack - Deep Neural Networks for Atomistic Systems

Python 929 250 Updated Jun 9, 2026

💻 Build terminal styled websites in minutes!

TypeScript 5,402 615 Updated Jan 30, 2024

python library for atomistic machine learning

Python 98 38 Updated May 20, 2026
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