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Achievements

Achievement: Galaxy BrainAchievement: YOLOAchievement: StarstruckAchievement: Pull Sharkx2Achievement: Arctic Code Vault Contributor

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@grimme-lab @qcxms
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awvwgk / tblite

Forked from tblite/tblite

Light-weight tight-binding framework

Fortran 6 2 Updated Jul 8, 2024

tblite / tblite

Light-weight tight-binding framework

Fortran 84 33 Updated Jul 10, 2024

gncs / molgym

Reinforcement Learning for Molecular Design Guided by Quantum Mechanics

Python 117 24 Updated Jul 23, 2023

grimme-lab / rmsd-tool

Tool to calculate the root mean square deviation between molecular structures

Fortran 11 3 Updated Jul 25, 2022

dimenwarper / colab_biowrappers

Bio and chem tools wrapped in colabs

Jupyter Notebook 6 Updated Oct 15, 2021

grimme-lab / qc2-teaching

Resources for teaching quantum chemistry courses in Bonn

Fortran 35 12 Updated Jun 13, 2024