Stars
⚡ TabPFN: Foundation Model for Tabular Data ⚡
🚀 Beautiful highly customizable statusline for Claude Code CLI with powerline support, themes, and more.
Customize Claude Code's system prompts, create custom toolsets, input pattern highlighters, themes/thinking verbs/spinners, customize input box & user message styling, support AGENTS.md, unlock pri…
Semiempirical Extended Tight-Binding Program Package
Large-Scale Multimodal Dataset of Astronomical Data
Polymathic's Large Omnimodal Model for Astronomy
Open source Ghostty-based macOS terminal with vertical tabs and notifications for AI coding agents. Built for multitasking, organization, and programmability.
Claude Code statusline tool written in Rust
Quantum chemistry and solid state physics software package
Libint: high-performance library for computing Gaussian integrals in quantum mechanics
QUICK: A GPU-enabled ab intio quantum chemistry software package
cuTile is a programming model for writing parallel kernels for NVIDIA GPUs
Coupled Cluster for solids. Mirror of https://gitlab.cc4s.org/cc4s/cc4s
A JAX-based Differentiable Density Functional Theory Framework for Materials
C library for finding and handling crystal symmetries
Software for generating machine-learning interatomic potentials for LAMMPS
Arbitrary-order derivatives of popular electronic structure methods, such as Hartree-Fock and coupled cluster theory.
NequIP is a code for building E(3)-equivariant interatomic potentials
A PyTorch library for implementing flow matching algorithms, featuring continuous and discrete flow matching implementations. It includes practical examples for both text and image modalities.
JAX bindings to the Flatiron Institute Non-uniform Fast Fourier Transform (FINUFFT) library
Artificial Intelligence Research for Science (AIRS)
A list of databases, datasets and books/handbooks where you can find materials properties for machine learning applications.