8000 qclo (Takeshi Yanai) / Starred · GitHub
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  • Nagoya University
  • Nagoya, Japan

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zenbu-labs / terminal-code

VS Code in the terminal

TypeScript 2,243 94 Updated Nov 4, 2026

masaya0222 / PyGraSO

Python 7 Updated Apr 28, 2026

oddt / oddt

Open Drug Discovery Toolkit

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jensengroup / xyz2mol

Converts an xyz file to an RDKit mol object

Python 308 68 Updated Jan 22, 2025

m-a-d-n-e-s-s / madness

Multiresolution Adaptive Numerical Environment for Scientific Simulation

C++ 222 74 Updated Nov 8, 2026

qclo / Quaternion-Diagonalization

Forked from qsimulate-open/zquatev

Code to diagonalize quaternion matrices using symmetry-adapted eigenvectors.

C 1 1 Updated Jan 23, 2014

qsimulate-open / bagel

Brilliantly Advanced General Electronic-structure Library

C++ 125 47 Updated Mar 31, 2025

qsimulate-open / zquatev

Diagonalization of quaternionic matrices to yield symmetry-adapted eigenvectors.

C++ 9 9 Updated Sep 15, 2020
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