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1. vasp vasp Public

   Forked from jkitchin/vasp

   New ASE compliant Python interface to VASP

   Python 1

2. 3DStructGen 3DStructGen Public

   Forked from pincher-chen/3DStructGen

   3DStructGen: an interactive web-based 3D structure generation for non-periodic molecule and crystal.

   JavaScript

3. backend_fastapi backend_fastapi Public

   Jupyter Notebook

4. cdx-mol cdx-mol Public

   conncetor between rdkit mols and *.cdxml layout

   Python

5. content-wind content-wind Public

   blog site

   Vue

6. dft-book dft-book Public

   Forked from jkitchin/dft-book

   A book on modeling materials using VASP, ase and vasp

   Python