Torch-native, batchable, atomistic simulation

PET-MAD, a universal interatomic potential for advanced materials modeling

[NeurIPS 2024] Official implementation of the Efficiently Scaled Attention Interatomic Potential

🌠 Manage your shell commands.

Compute neighbor lists for atomistic systems

Sioyek is a PDF viewer with a focus on textbooks and research papers

GRACE models and gracemaker (as implemented in TensorPotential package)

MatID is a Python package for identifying and analyzing atomistic systems based on their structure.

Orgmode clone written in Lua for Neovim 0.10.0+.

Rust numeric library with high performance and friendly syntax

Welcome to a calmer internet

A Neovim plugin hiding your colorcolumn when unneeded.

Alternative command-line window plugin for neovim

MatterSim: A deep learning atomistic model across elements, temperatures and pressures.

Rayon: A data parallelism library for Rust

Chemical reaction data & benchmarks. Extraction and cleaning of data from Open Reaction Database (ORD)

OpenEquivariance: a fast, open-source GPU JIT kernel generator for the Clebsch-Gordon Tensor Product.

Tensor library for machine learning

A collection of some awesome public Zig programming language projects.

BAMBOO (Bytedance AI Molecular BOOster) is an AI-driven machine learning force field designed for precise and efficient electrolyte simulations.

Materials science with Python at the atomic-scale

An LLM-powered knowledge curation system that researches a topic and generates a full-length report with citations.

A library for efficient similarity search and clustering of dense vectors.

Presentation Slides for Developers

A native neovim extension for Codeium

Neighbour list for particle simulations

🍿 A collection of QoL plugins for Neovim

Distro agnostic components for your Neovim heirline config