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including prodcution runs by GAFF, ANI1ccx, AIMD, initial xyz files and QM opitimized structures

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Liu-group/SI_for_ANI1ccx_vs_GAFF

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SI_for_ANI1ccx_vs_GAFF

including prodcution runs by GAFF, ANI1ccx, AIMD, initial xyz files and QM opitimized structures

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including prodcution runs by GAFF, ANI1ccx, AIMD, initial xyz files and QM opitimized structures

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