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刷算法全靠套路,认准 labuladong 就够了!English version supported! Crack LeetCode, not only how, but also why.
A deep learning package for many-body potential energy representation and molecular dynamics
A collection of python scripts that deal with VASP outpts, e.g. WAVECAR, POTCAR etc.
A book on modeling materials using VASP, ase and vasp
Software package that provides improved first-principles molecular dynamics with the aid of machine learning