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Feeding my insatiable curiosity.
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Feeding my insatiable curiosity.
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Swati-Verma671 / Computation-of-DFT-using-Radix-2-DIT-FFT-algorithm

Developed a matlab code to compute DFT of given input sequence with DIT-FFT butterfly method.

MATLAB 3 1 Updated Nov 19, 2022

mir-group / flare

An open-source Python package for creating fast and accurate interatomic potentials.

Python 307 72 Updated Jan 7, 2025

Q2MM / q2mm

Forked from ericchansen/q2mm

Quantum to Molecular Mechanics (Q2MM)

Python 24 9 Updated Sep 17, 2024

hyunjun / bookmarks

Python 824 245 Updated Jan 18, 2025

cyllab / ccinput

Computational Chemistry Input Generator

Python 43 7 Updated Nov 13, 2024