• 10
• 12
• 9

abacus-develop

C++

An electronic structure software based on either plane wave basis or numerical atomic orbitals. (https://github.com/deepmodeling/abacus-develop)

• 8
• 20
• 6

deepmd-kit

C++

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

• 7
• 8
• 5

dpgen

Python

The deep potential generator

• 3
• 6
• 3

dpdata

Python

Manipulating DeePMD-kit, VASP, LAMMPS data formats.

• 1
• 0
• 0

dpti

dpti (deep potential thermodynamic integration) is a python package for calculating free energy, doing thermodynamic integration and figuring out p...

• 1
• 0
• 0

reacnetgenerator

• 3
• 0
• 0

dpdispatcher

Python

• 1
• 0
• 0

deepmodeling_sphinx

• 1
• 0
• 0

dargs

Python

• 2
• 0
• 0

DMFF

Python

DMFF (Differentiable Molecular Force Field) is a Jax-based python package that provides a full differentiable implementation of molecular force fie...

• 1
• 0
• 0

dpgen2

• 2
• 0
• 0

DeePTB

Python

DeePTB: A deep learning package for tight-binding approach with ab initio accuracy.

• 1
• 0
• 0

args

• 2
• 2
• 0

deepflame-dev

C++

DeepFlame Project

• 2
• 1
• 0

dflow

Python

cloned from https://github.com/dptech-corp/dflow

• 1
• 0
• 0

dpgui

• 1
• 0
• 0

APEX

• 1
• 0
• 0

tutorials

• 1
• 0
• 0

rid-kit

Python

Reinforced dynamics

• 1
• 0
• 0

docs