DeepModeling
DeepModeling
deepmd-kit
A deep learning package for many-body potential energy representation and molecular dynamics
dpgen
The deep potential generator to generate a deep-learning based model of interatomic potential energy and force field
abacus-develop
An electronic structure package based on either plane wave basis or numerical atomic orbitals.
deepflame-dev
A deep learning empowered open-source platform for reacting flow simulations
deepks-kit
a package for developing machine learning-based chemically accurate energy and density functional models
dflow
Dflow is a Python framework for constructing scientific computing workflows (e.g. concurrent learning workflows) employing Argo Workflows as the workflow engine.
DMFF
DMFF (Differentiable Molecular Force Field) is a Jax-based python package that provides a full differentiable implementation of molecular force field models.
dpdata
Manipulating multiple atomic simulation data formats, including DeePMD-kit, VASP, LAMMPS, ABACUS, etc.