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RECETOX / ei_spectra_predictions Public

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ei_spectra_predictions
templates

/

structure_input_template.xyz

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5 lines (5 loc) · 76 Bytes

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ei_spectra_predictions
templates

/

structure_input_template.xyz

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5 lines (5 loc) · 76 Bytes

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{{ N_ATOMS }}

{{ MOLNAME }}

{% for i in COORDINATES -%}

{{ i }}

{% endfor %}

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