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1D density functional theory code in Python
Official PyTorch implementation for "Large Language Diffusion Models"
Fully open data curation for reasoning models
This is the official repository for The Hundred-Page Language Models Book by Andriy Burkov
User-friendly Desktop Client App for AI Models/LLMs (GPT, Claude, Gemini, Ollama...)
[NeurIPS 2023] The implementation for the paper "Crystal Structure Prediction by Joint Equivariant Diffusion"
Commands to run VASP jobs automatically. Pre-processing or post-processing
Artificial Intelligence Research for Science (AIRS)
This repository contains a collection of resources and papers on GNN Models on Crystal Solid State Materials
A modern GUI client based on Tauri, designed to run in Windows, macOS and Linux for tailored proxy experience
TeachOpenCADD: a teaching platform for computer-aided drug design (CADD) using open source packages and data
Heavyweight plotting tools for ab initio calculations
atomate is a powerful software for computational materials science and contains pre-built workflows.
MACE - Fast and accurate machine learning interatomic potentials with higher order equivariant message passing.
The official code respository for "Crystalformer: Infinitely Connected Attention for Periodic Structure Encoding" (ICLR 2024)
Wavelike and Particlelike Phonon Transport (WPPT) Solver
T4ME - Transport 4 MatErials - A code to calculate the charge transport in materials, from analytic models and ab-initio
Official code implementation of General OCR Theory: Towards OCR-2.0 via a Unified End-to-end Model
Effortless AI-assisted data labeling with AI support from YOLO, Segment Anything (SAM+SAM2), MobileSAM!!
Like Manus, Computer Use Agent(CUA) and Omniparser, we are computer-using agents.AI-driven local automation assistant that uses natural language to make computers work by themselves
Numerical Analysis of SSH Model and Polarization effect of RM Model