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
An electronic structure package based on either plane wave basis or numerical atomic orbitals.
A toolkit for visualizations in materials informatics.
