Pinned

1. deepmd-kit deepmd-kit Public

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

   C++ 1.4k 480

2. dflow dflow Public

   Forked from dptech-corp/dflow

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

   Python 50 23

3. abacus-develop abacus-develop Public

   Forked from abacusmodeling/abacus-develop

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

   C++ 138 114

4. APEX APEX Public

   APEX: Alloy Properties EXplorer using simulations

   Python 13 16

5. DeePTB DeePTB Public

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

   Python 32 12

6. tbplas tbplas Public

   Repository of TBPLaS (tight-binding package for large-scale simulation)

   4 3