Python tool for converting files and office documents to Markdown.

Animation engine for explanatory math videos

Portable file server with accelerated resumable uploads, dedup, WebDAV, SFTP, FTP, TFTP, zeroconf, media indexer, thumbnails++ all in one file

A community-maintained Python framework for creating mathematical animations.

A minimal PyTorch re-implementation of the OpenAI GPT (Generative Pretrained Transformer) training

The Sphinx documentation generator

Democratizing Deep-Learning for Drug Discovery, Quantum Chemistry, Materials Science and Biology

FAIR Chemistry's library of machine learning methods for chemistry

MACE - Fast and accurate machine learning interatomic potentials with higher order equivariant message passing.

Scientific Inkscape: Inkscape extensions for figure resizing and editing

An open source python library for scalable Bayesian optimisation.

AI-powered ab initio biomolecular dynamics simulation

ORB forcefield models from Orbital Materials

Publication-quality molecular graphics.

Manipulating VASP files with Python.

A general-purpose programmatic animation tool

Materials science with Python at the atomic-scale

Skala exchange-correlation functional

Universal interatomic potentials for advanced materials modeling

SEML: Slurm Experiment Management Library

This is a simple script to plot energy profile diagrams using Python and matplotlib.

sGDML - Reference implementation of the Symmetric Gradient Domain Machine Learning model

A minimalistic atomic Density Functional Theory (DFT) code

Build neural networks for machine learning force fields with JAX

Efficient And Fully Differentiable Extended Tight-Binding

train and use graph-based ML models of potential energy surfaces

A machine learning environment for atomic-scale modeling in surface science and catalysis.

An open source Python framework for transition interface and path sampling calculations.

Library for efficient training and application of Machine Learning Interatomic Potentials (MLIP)