• 8
• 20
• 6

deepmd-kit

C++

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

• 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)

• 2
• 2
• 0

deepflame-dev

C++

DeepFlame Project

• 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

rid-kit

Python

Reinforced dynamics

• 1
• 0
• 0

LibRI

• 1
• 0
• 0

openfinite

• 1
• 0
• 0

fealpy

• 3
• 3
• 0

deepmd-kit-recipes

关闭

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