Develop

docs/AI/SinglePropertyPrediction/dft_3d_Tc_supercon_hydride.md

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+# Model for Superconducting Tc of High Pressure Hydrides
+<!--benchmark_description--> - Description: This is a benchmark to evaluate how accurately an AI model can predict the superconducting transition temperature of hydride materials under pressure. The dataset contains the structures and DFT calculated Tc of the hydride materials under various amounts of pressure. Here we use mean absolute error (MAE) to compare models with respect to DFT accuracy. External links: https://iopscience.iop.org/article/10.1088/2752-5724/ad4a94<br><div>            <script type="text/javascript">window.PlotlyConfig = {MathJaxConfig: 'local'};</script>     <script charset="utf-8" src="https://cdn.plot.ly/plotly-2.32.0.min.js"></script>        <div id="c955d735-3bad-4650-8c5e-1a09101a30f3" class="plotly-graph-div" style="height:100%; width:100%;"></div>      <script type="text/javascript">                  window.PLOTLYENV=window.PLOTLYENV || {};                  if (document.getElementById("c955d735-3bad-4650-8c5e-1a09101a30f3")) {          Plotly.newPlot(            "c955d735-3bad-4650-8c5e-1a09101a30f3",            [{"x":["alignn_hydride_supercon"],"y":[12.3099],"type":"bar"}],            {"title":{"text":"AI-SinglePropertyPrediction-Tc_supercon_hydride-dft_3d-test-mae","x":0.5},"yaxis":{"title":{"text":"MAE 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           {"responsive": true}          )        };              </script>    </div><br>Reference(s): [https://www.nature.com/articles/s41524-020-00440-1](https://www.nature.com/articles/s41524-020-00440-1), [https://iopscience.iop.org/article/10.1088/2752-5724/ad4a94](https://iopscience.iop.org/article/10.1088/2752-5724/ad4a94), [https://doi.org/10.48550/arXiv.2305.11842](https://doi.org/10.48550/arXiv.2305.11842)<br>
+
+
+<h2>Model benchmarks</h2>
+
+<table style="width:100%" id="j_table">
+ <thead>
+  <tr>
+<th>Model name</th><th>Dataset</th>
+   <!-- <th>Method</th>-->
+    <th>MAE</th>
+    <th>Team name</th>
+    <th>Dataset size</th>
+    <th>Date submitted</th>
+    <th>Notes</th>
+  </tr>
+ </thead>
+<!--table_content--><tr><td><a href="https://github.com/usnistgov/jarvis_leaderboard/tree/main/jarvis_leaderboard/contributions/alignn_hydride_supercon" target="_blank">alignn_hydride_supercon</a></td><td>dft_3d</td><td>12.3099</td><td>ALIGNN</td><td>953</td><td>05-16-2024</td><td><a href="https://github.com/usnistgov/jarvis_leaderboard/tree/main/jarvis_leaderboard/contributions/alignn_hydride_supercon/AI-SinglePropertyPrediction-Tc_supercon_hydride-dft_3d-test-mae.csv.zip" target="_blank">CSV</a>, <a href="https://github.com/usnistgov/jarvis_leaderboard/tree/main/jarvis_leaderboard/benchmarks/AI/SinglePropertyPrediction/dft_3d_Tc_supercon_hydride.json.zip" target="_blank">JSON</a>, <a href="https://github.com/usnistgov/jarvis_leaderboard/tree/main/jarvis_leaderboard/contributions/alignn_hydride_supercon/run.sh " target="_blank">run.sh</a>, <a href="https://github.com/usnistgov/jarvis_leaderboard/tree/main/jarvis_leaderboard/contributions/alignn_hydride_supercon/metadata.json " target="_blank">Info</a></td></tr><!--table_content-->
+</table>

docs/AI/SinglePropertyPrediction/dft_3d_Tc_supercon_hydride_plus_bulk.md

@@ -0,0 +1,20 @@
+# Model for Superconducting Tc of High Pressure Hydrides
+<!--benchmark_description--> - Description: This is a benchmark to evaluate how accurately an AI model can predict the superconducting transition temperature of hydride materials under pressure. The dataset contains the structures and DFT calculated Tc of the hydride materials under various amounts of pressure plus the DFT dataset of bulk hydride materials. Here we use mean absolute error (MAE) to compare models with respect to DFT accuracy. External links: https://iopscience.iop.org/article/10.1088/2752-5724/ad4a95, https://www.nature.com/articles/s41524-022-00933-1<br><div>            <script type="text/javascript">window.PlotlyConfig = {MathJaxConfig: 'local'};</script>     <script charset="utf-8" src="https://cdn.plot.ly/plotly-2.32.0.min.js"></script>        <div id="4df3d4a7-0f0e-4db9-b279-2955cac84ee2" class="plotly-graph-div" style="height:100%; width:100%;"></div>      <script type="text/javascript">                  window.PLOTLYENV=window.PLOTLYENV || {};                  if (document.getElementById("4df3d4a7-0f0e-4db9-b279-2955cac84ee2")) {          Plotly.newPlot(            "4df3d4a7-0f0e-4db9-b279-2955cac84ee2",            [{"x":["alignn_hydride_supercon_plusbulk"],"y":[7.9619],"type":"bar"}],            {"title":{"text":"AI-SinglePropertyPrediction-Tc_supercon_hydride_plus_bulk-dft_3d-test-mae","x":0.5},"yaxis":{"title":{"text":"MAE 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           {"responsive": true}          )        };              </script>    </div><br>Reference(s): [https://www.nature.com/articles/s41524-020-00440-1](https://www.nature.com/articles/s41524-020-00440-1), [https://iopscience.iop.org/article/10.1088/2752-5724/ad4a94](https://iopscience.iop.org/article/10.1088/2752-5724/ad4a94), [https://doi.org/10.48550/arXiv.2305.11842](https://doi.org/10.48550/arXiv.2305.11842)<br>
+
+
+<h2>Model benchmarks</h2>
+
+<table style="width:100%" id="j_table">
+ <thead>
+  <tr>
+<th>Model name</th><th>Dataset</th>
+   <!-- <th>Method</th>-->
+    <th>MAE</th>
+    <th>Team name</th>
+    <th>Dataset size</th>
+    <th>Date submitted</th>
+    <th>Notes</th>
+  </tr>
+ </thead>
+<!--table_content--><tr><td><a href="https://github.com/usnistgov/jarvis_leaderboard/tree/main/jarvis_leaderboard/contributions/alignn_hydride_supercon_plusbulk" target="_blank">alignn_hydride_supercon_plusbulk</a></td><td>dft_3d</td><td>7.9619</td><td>ALIGNN</td><td>1993</td><td>05-16-2024</td><td><a href="https://github.com/usnistgov/jarvis_leaderboard/tree/main/jarvis_leaderboard/contributions/alignn_hydride_supercon_plusbulk/AI-SinglePropertyPrediction-Tc_supercon_hydride_plus_bulk-dft_3d-test-mae.csv.zip" target="_blank">CSV</a>, <a href="https://github.com/usnistgov/jarvis_leaderboard/tree/main/jarvis_leaderboard/benchmarks/AI/SinglePropertyPrediction/dft_3d_Tc_supercon_hydride_plus_bulk.json.zip" target="_blank">JSON</a>, <a href="https://github.com/usnistgov/jarvis_leaderboard/tree/main/jarvis_leaderboard/contributions/alignn_hydride_supercon_plusbulk/run.sh " target="_blank">run.sh</a>, <a href="https://github.com/usnistgov/jarvis_leaderboard/tree/main/jarvis_leaderboard/contributions/alignn_hydride_supercon_plusbulk/metadata.json " target="_blank">Info</a></td></tr><!--table_content-->
+</table>