Pinned Loading

1. DeePTB-agent DeePTB-agent Public

   Python

2. DeePTB-agent-tools DeePTB-agent-tools Public

   Forked from deepmodeling/ABACUS-agent-tools

   MCP tools to connect LLMs and ABACUS jobs

   Python

3. negf-flow negf-flow Public

   Python

4. deepmodeling/DeePTB deepmodeling/DeePTB Public

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

   Python 94 26

5. deepmodeling/dftio deepmodeling/dftio Public

   dftio is to assist machine learning communities to transcript DFT output into a format that is easy to read or used by machine learning models.

   Jupyter Notebook 13 8

6. DeePTB-Lab/dpnegf DeePTB-Lab/dpnegf Public

   A NEGF Python package compatible to DeePTB method for efficient quantum transport simulations

   Python 8 6