10 projects
deepx-client
Python client for a DeepH-serve instance, part of the DeepX ecosystem.
deeph-client
Compatibility alias for deepx-client; install deepx-client instead.
deeph-dock
Compatibility alias for deepx-dock; install deepx-dock instead.
deeph-pack
Compatibility alias for deepx-pack; install deepx-pack instead.
irrepx
Minimal O(3) irreducible representations. A lightweight, dependency-free irreps algebra.
matvu
Automatic viewpoint optimization and visualization for materials structures.
aimspy
Pure-Python in-memory interface to FHI-aims via ctypes, for seamless integration with DeepX/DeepH.
deepx-dock
DeepH-dock seamlessly integrates deep learning with first-principles calculations. It serves as a modular and extensible bridge, functioning both as the dedicated interface for the DeepH-pack suite and as a standalone tool for coupling deep learning models with computational materials science workflows.
arxiv-pulse
An intelligent arXiv literature crawler and analyzer with AI-powered features
deepx-pack
DeepH-pack is a general-purpose neural network package for deep-learning electronic structure calculations. As the latest evolution of the DeepH framework, it integrates all prior methodologies into a unified, cohesive toolkit. This enhanced version has been fully rebuilt using JAX, delivering greater computational efficiency and expanded functionality.
