Advanced ASE Transition State Tools for ABACUS and Deep-Potential

Deep Potential Evolution Accelerator

LASP python library including scripts and auto-NNtrain workflow

little python project for quantum chemistry calculation (method: Hartree-Fock)

A tool to create pixel-accurate energy diagrams as ChemDraw object

A conda-smithy repository for abacus.

A deep learning package for many-body potential energy representation and molecular dynamics

ABACUS-test prep-submit-post workflow

MCP tools to connect LLMs and ABACUS jobs

A toolkit for visualizations in materials informatics.