• 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)

• 1
• 0
• 0

dpti

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

• 3
• 0
• 0

dpdispatcher

Python

• 2
• 2
• 0

deepflame-dev

C++

DeepFlame Project

• 2
• 1
• 0

dflow

Python

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

• 1
• 0
• 0

tutorials

• 1
• 0
• 0

tbplas

• 1
• 0
• 0

Uni-Fold

• 1
• 2
• 2

colombo-ABACUS

Colombo Academy of ABACUS

• 3
• 3
• 0

deepmd-kit-recipes

Closed

Conda recipes for DeePMD-kit. (Moved to https://github.com/deepmd-kit-recipes)