bobbypaton commited on
Commit
444d6ac
·
1 Parent(s): 395bfe9

Deploy ALFABET to HF Spaces

Browse files
bde_prediction/bde_flask/templates/neighbor.html CHANGED
@@ -3,7 +3,7 @@
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  {% block content %}
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  <h2 id="smiles-title">{{ smiles }}</h2>
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- <div id='drawing'>{{ bde_row['svg'] }}</div>
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  <div id='bde_reg'>
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  <p>
@@ -17,7 +17,7 @@
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  <div id='frags' class="row">
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  {% for key,value in neighbor_df.iterrows() %}
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  <div class="col-sm-6 col-md-6 media fragment">
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- <div class='media-left'>{{ value['svg'] }}</div>
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  <div class="media-body">
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  <h4 class='media-heading'>{{ value['molecule'] }}</h4>
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  <strong>BDE(DFT):</strong><em> {{ '{0:0.1f}'.format(value['bde']) }} kcal/mol</em><br/>
 
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  {% block content %}
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  <h2 id="smiles-title">{{ smiles }}</h2>
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+ <div id='drawing'>{{ bde_row['svg'] | safe}}</div>
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  <div id='bde_reg'>
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  <p>
 
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  <div id='frags' class="row">
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  {% for key,value in neighbor_df.iterrows() %}
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  <div class="col-sm-6 col-md-6 media fragment">
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+ <div class='media-left'>{{ value['svg'] | safe}}</div>
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  <div class="media-body">
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  <h4 class='media-heading'>{{ value['molecule'] }}</h4>
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  <strong>BDE(DFT):</strong><em> {{ '{0:0.1f}'.format(value['bde']) }} kcal/mol</em><br/>
bde_prediction/bde_flask/templates/outlier.html CHANGED
@@ -6,7 +6,7 @@
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  <h3>Molecule out of scope</h3>
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  <p>Unfortunately, the tool currently only supports uncharged, closed-shell molecules with C, H, N, O, F, P, S, Cl, Br, and I atoms, and where we have sufficient training data. The following parts of the molecule are unsupported due to a lack of training data:</p>
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- <div id='drawing'>{{ mol_svg }}</div>
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  {% endblock %}
 
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  <h3>Molecule out of scope</h3>
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  <p>Unfortunately, the tool currently only supports uncharged, closed-shell molecules with C, H, N, O, F, P, S, Cl, Br, and I atoms, and where we have sufficient training data. The following parts of the molecule are unsupported due to a lack of training data:</p>
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+ <div id='drawing'>{{ mol_svg | safe}}</div>
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  {% endblock %}
bde_prediction/bde_flask/templates/result.html CHANGED
@@ -14,7 +14,7 @@
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  <div id='frags' class="row">
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  {% for key,value in df.iterrows() %}
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  <div class="col-sm-6 col-md-6 media fragment">
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- <div class='media-left'>{{ value['svg'] }}</div>
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  <div class="media-body">
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  <h4 class='media-heading'>Bond {{ key + 1 }}</h4>
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  <strong>Bond Type:</strong> {{ value['bond_type'] }}<br/>
 
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  <div id='frags' class="row">
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  {% for key,value in df.iterrows() %}
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  <div class="col-sm-6 col-md-6 media fragment">
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+ <div class='media-left'>{{ value['svg'] | safe }}</div>
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  <div class="media-body">
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  <h4 class='media-heading'>Bond {{ key + 1 }}</h4>
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  <strong>Bond Type:</strong> {{ value['bond_type'] }}<br/>