DeepModeling

DeepModeling's repositories

deepmd-kit

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

Language:C++LGPL-3.01408 47 715

dpgen

The deep potential generator to generate a deep-learning based model of interatomic potential energy and force field

Language:PythonLGPL-3.0285 13 285

jax-fem

Differentiable Finite Element Method with JAX

Language:PythonGPL-3.0195 10 24

dpdata

Manipulating multiple atomic simulation data formats, including DeePMD-kit, VASP, LAMMPS, ABACUS, etc.

Language:PythonLGPL-3.0188 9 93

abacus-develop

An electronic structure package based on either plane wave basis or numerical atomic orbitals.

Language:C++LGPL-3.0151 11 1601

DMFF

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

Language:PythonLGPL-3.0142 9 26

deepflame-dev

A deep learning empowered open-source platform for reacting flow simulations

Language:C++GPL-3.0128 7 44

community

DeepModeling community content

77 11 2

reacnetgenerator

an automatic reaction network generator for reactive molecular dynamics simulation

Language:PythonLGPL-3.062 9 124

dflow

Dflow is a Python framework for constructing scientific computing workflows (e.g. concurrent learning workflows) employing Argo Workflows as the workflow engine.

Language:PythonLGPL-3.058 1 35