-
Notifications
You must be signed in to change notification settings - Fork 176
Commit
This commit does not belong to any branch on this repository, and may belong to a fork outside of the repository.
- Loading branch information
1 parent
2644c1b
commit d60fa0d
Showing
23 changed files
with
1,148 additions
and
318 deletions.
There are no files selected for viewing
Large diffs are not rendered by default.
Oops, something went wrong.
This file contains bidirectional Unicode text that may be interpreted or compiled differently than what appears below. To review, open the file in an editor that reveals hidden Unicode characters.
Learn more about bidirectional Unicode characters
| Original file line number | Diff line number | Diff line change |
|---|---|---|
|
|
@@ -367,24 +367,24 @@ <h3 id="leaderboard">Leaderboard</h3> | |
| <td><a href="mailto:[email protected]">Kyle Swanson</a></td> | ||
| <td><a href="https://github.com/chemprop/chemprop"> GitHub</a>, <a href="https://pubs.acs.org/doi/full/10.1021/acs.jcim.9b00237">Paper </a></td> | ||
| <td> N/A </td> | ||
| <td>0.328 <span>±</span> 0.024 </td> | ||
| <td>0.330 <span>±</span> 0.024 </td> | ||
| </tr> | ||
| <tr> | ||
| <td> 6 </td> | ||
| <td> Chemprop </td> | ||
| <td><a href="mailto:[email protected]">Kyle Swanson</a></td> | ||
| <td><a href="https://github.com/chemprop/chemprop"> GitHub</a>, <a href="https://pubs.acs.org/doi/full/10.1021/acs.jcim.9b00237">Paper </a></td> | ||
| <td> N/A </td> | ||
| <td>0.340 <span>±</span> 0.016 </td> | ||
| </tr> | ||
| <tr> | ||
| <td> 7 </td> | ||
| <td> Euclia ML model </td> | ||
| <td><a href="mailto:[email protected]">Euclia</a></td> | ||
| <td><a href="https://github.com/euclia/public-models"> GitHub</a>, <a href="https://github.com/euclia/public-models">Paper </a></td> | ||
| <td> 50 </td> | ||
| <td>0.341 <span>±</span> 0.004 </td> | ||
| </tr> | ||
| <tr> | ||
| <td> 7 </td> | ||
| <td> Chemprop </td> | ||
| <td><a href="mailto:[email protected]">Kyle Swanson</a></td> | ||
| <td><a href="https://github.com/chemprop/chemprop"> GitHub</a>, <a href="https://pubs.acs.org/doi/full/10.1021/acs.jcim.9b00237">Paper </a></td> | ||
| <td> N/A </td> | ||
| <td>0.344 <span>±</span> 0.015 </td> | ||
| </tr> | ||
| <tr> | ||
| <td> 8 </td> | ||
| <td> RDKit2D + MLP (DeepPurpose) </td> | ||
|
|
||
This file contains bidirectional Unicode text that may be interpreted or compiled differently than what appears below. To review, open the file in an editor that reveals hidden Unicode characters.
Learn more about bidirectional Unicode characters
| Original file line number | Diff line number | Diff line change |
|---|---|---|
|
|
@@ -407,7 +407,7 @@ <h3 id="leaderboard">Leaderboard</h3> | |
| <td><a href="mailto:[email protected]">Kyle Swanson</a></td> | ||
| <td><a href="https://github.com/chemprop/chemprop"> GitHub</a>, <a href="https://pubs.acs.org/doi/full/10.1021/acs.jcim.9b00237">Paper </a></td> | ||
| <td> N/A </td> | ||
| <td>0.883 <span>±</span> 0.016 </td> | ||
| <td>0.886 <span>±</span> 0.016 </td> | ||
| </tr> | ||
| <tr> | ||
| <td> 11 </td> | ||
|
|
@@ -423,7 +423,7 @@ <h3 id="leaderboard">Leaderboard</h3> | |
| <td><a href="mailto:[email protected]">Kyle Swanson</a></td> | ||
| <td><a href="https://github.com/chemprop/chemprop"> GitHub</a>, <a href="https://pubs.acs.org/doi/full/10.1021/acs.jcim.9b00237">Paper </a></td> | ||
| <td> N/A </td> | ||
| <td>0.858 <span>±</span> 0.036 </td> | ||
| <td>0.860 <span>±</span> 0.036 </td> | ||
| </tr> | ||
| <tr> | ||
| <td> 13 </td> | ||
|
|
||
This file contains bidirectional Unicode text that may be interpreted or compiled differently than what appears below. To review, open the file in an editor that reveals hidden Unicode characters.
Learn more about bidirectional Unicode characters
| Original file line number | Diff line number | Diff line change |
|---|---|---|
|
|
@@ -367,7 +367,7 @@ <h3 id="leaderboard">Leaderboard</h3> | |
| <td><a href="mailto:[email protected]">Kyle Swanson</a></td> | ||
| <td><a href="https://github.com/chemprop/chemprop"> GitHub</a>, <a href="https://pubs.acs.org/doi/full/10.1021/acs.jcim.9b00237">Paper </a></td> | ||
| <td> N/A </td> | ||
| <td>0.668 <span>±</span> 0.069 </td> | ||
| <td>0.667 <span>±</span> 0.068 </td> | ||
| </tr> | ||
| <tr> | ||
| <td> 6 </td> | ||
|
|
@@ -403,20 +403,20 @@ <h3 id="leaderboard">Leaderboard</h3> | |
| </tr> | ||
| <tr> | ||
| <td> 10 </td> | ||
| <td> Chemprop </td> | ||
| <td><a href="mailto:[email protected]">Kyle Swanson</a></td> | ||
| <td><a href="https://github.com/chemprop/chemprop"> GitHub</a>, <a href="https://pubs.acs.org/doi/full/10.1021/acs.jcim.9b00237">Paper </a></td> | ||
| <td> N/A </td> | ||
| <td>0.581 <span>±</span> 0.024 </td> | ||
| </tr> | ||
| <tr> | ||
| <td> 11 </td> | ||
| <td> Morgan + MLP (DeepPurpose) </td> | ||
| <td><a href="mailto:[email protected]">Kexin Huang</a></td> | ||
| <td><a href="https://github.com/mims-harvard/TDC/tree/master/examples/single_pred/admet"> GitHub</a>, <a href="https://doi.org/10.1093/bioinformatics/btaa1005">Paper </a></td> | ||
| <td> 1,477,185 </td> | ||
| <td>0.581 <span>±</span> 0.086 </td> | ||
| </tr> | ||
| <tr> | ||
| <td> 11 </td> | ||
| <td> Chemprop </td> | ||
| <td><a href="mailto:[email protected]">Kyle Swanson</a></td> | ||
| <td><a href="https://github.com/chemprop/chemprop"> GitHub</a>, <a href="https://pubs.acs.org/doi/full/10.1021/acs.jcim.9b00237">Paper </a></td> | ||
| <td> N/A </td> | ||
| <td>0.579 <span>±</span> 0.023 </td> | ||
| </tr> | ||
| <tr> | ||
| <td> 12 </td> | ||
| <td> AttrMasking </td> | ||
|
|
||
This file contains bidirectional Unicode text that may be interpreted or compiled differently than what appears below. To review, open the file in an editor that reveals hidden Unicode characters.
Learn more about bidirectional Unicode characters
| Original file line number | Diff line number | Diff line change |
|---|---|---|
|
|
@@ -335,15 +335,15 @@ <h3 id="leaderboard">Leaderboard</h3> | |
| <td><a href="mailto:[email protected]">Kyle Swanson</a></td> | ||
| <td><a href="https://github.com/chemprop/chemprop"> GitHub</a>, <a href="https://pubs.acs.org/doi/full/10.1021/acs.jcim.9b00237">Paper </a></td> | ||
| <td> N/A </td> | ||
| <td>0.466 <span>±</span> 0.006 </td> | ||
| <td>0.467 <span>±</span> 0.006 </td> | ||
| </tr> | ||
| <tr> | ||
| <td> 2 </td> | ||
| <td> Chemprop </td> | ||
| <td><a href="mailto:[email protected]">Kyle Swanson</a></td> | ||
| <td><a href="https://github.com/chemprop/chemprop"> GitHub</a>, <a href="https://pubs.acs.org/doi/full/10.1021/acs.jcim.9b00237">Paper </a></td> | ||
| <td> N/A </td> | ||
| <td>0.469 <span>±</span> 0.005 </td> | ||
| <td>0.470 <span>±</span> 0.009 </td> | ||
| </tr> | ||
| <tr> | ||
| <td> 3 </td> | ||
|
|
@@ -433,6 +433,7 @@ <h3 id="leaderboard">Leaderboard</h3> | |
| <td> 226,625 </td> | ||
| <td>0.743 <span>±</span> 0.020 </td> | ||
| </tr> | ||
|
|
||
| </table> | ||
|
|
||
| <p><i class="fas fa-long-arrow-alt-down"></i>: The lower the better.</p> | ||
|
|
||
This file contains bidirectional Unicode text that may be interpreted or compiled differently than what appears below. To review, open the file in an editor that reveals hidden Unicode characters.
Learn more about bidirectional Unicode characters
| Original file line number | Diff line number | Diff line change |
|---|---|---|
|
|
@@ -335,7 +335,7 @@ <h3 id="leaderboard">Leaderboard</h3> | |
| <td><a href="mailto:[email protected]">Kyle Swanson</a></td> | ||
| <td><a href="https://github.com/chemprop/chemprop"> GitHub</a>, <a href="https://pubs.acs.org/doi/full/10.1021/acs.jcim.9b00237">Paper </a></td> | ||
| <td> N/A </td> | ||
| <td>0.762 <span>±</span> 0.020 </td> | ||
| <td>0.761 <span>±</span> 0.025 </td> | ||
| </tr> | ||
| <tr> | ||
| <td> 2 </td> | ||
|
|
@@ -347,28 +347,28 @@ <h3 id="leaderboard">Leaderboard</h3> | |
| </tr> | ||
| <tr> | ||
| <td> 3 </td> | ||
| <td> Chemprop </td> | ||
| <td><a href="mailto:[email protected]">Kyle Swanson</a></td> | ||
| <td><a href="https://github.com/chemprop/chemprop"> GitHub</a>, <a href="https://pubs.acs.org/doi/full/10.1021/acs.jcim.9b00237">Paper </a></td> | ||
| <td> N/A </td> | ||
| <td>0.818 <span>±</span> 0.010 </td> | ||
| </tr> | ||
| <tr> | ||
| <td> 4 </td> | ||
| <td> RDKit2D + MLP (DeepPurpose) </td> | ||
| <td><a href="mailto:[email protected]">Kexin Huang</a></td> | ||
| <td><a href="https://github.com/mims-harvard/TDC/tree/master/examples/single_pred/admet"> GitHub</a>, <a href="https://doi.org/10.1093/bioinformatics/btaa1005">Paper </a></td> | ||
| <td> 633,409 </td> | ||
| <td>0.827 <span>±</span> 0.047 </td> | ||
| </tr> | ||
| <tr> | ||
| <td> 5 </td> | ||
| <td> 4 </td> | ||
| <td> Basic ML </td> | ||
| <td><a href="mailto:[email protected]">Nilavo Boral</a></td> | ||
| <td><a href="https://github.com/NilavoBoral/Therapeutics-Data-Commons"> GitHub</a>, <a href="https://www.biorxiv.org/content/10.1101/2022.06.29.115436v1">Paper </a></td> | ||
| <td> N/A </td> | ||
| <td>0.828 <span>±</span> 0.002 </td> | ||
| </tr> | ||
| <tr> | ||
| <td> 5 </td> | ||
| <td> Chemprop </td> | ||
| <td><a href="mailto:[email protected]">Kyle Swanson</a></td> | ||
| <td><a href="https://github.com/chemprop/chemprop"> GitHub</a>, <a href="https://pubs.acs.org/doi/full/10.1021/acs.jcim.9b00237">Paper </a></td> | ||
| <td> N/A </td> | ||
| <td>0.829 <span>±</span> 0.022 </td> | ||
| </tr> | ||
| <tr> | ||
| <td> 6 </td> | ||
| <td> GCN </td> | ||
|
|
||
This file contains bidirectional Unicode text that may be interpreted or compiled differently than what appears below. To review, open the file in an editor that reveals hidden Unicode characters.
Learn more about bidirectional Unicode characters
| Original file line number | Diff line number | Diff line change |
|---|---|---|
|
|
@@ -334,139 +334,147 @@ <h3 id="leaderboard">Leaderboard</h3> | |
| <td> Lantern RADR Ensemble </td> | ||
| <td><a href="mailto:[email protected]">Rick Fontenot</a></td> | ||
| <td><a href="https://github.com/lanternpharma/tdc-bbb-martins"> GitHub</a>, <a href="https://github.com/lanternpharma/tdc-bbb-martins/blob/main/Lantern_TDC_BBBmartins.pdf">Paper </a></td> | ||
| <td> 267,439 </td> | ||
| <td>0.962 <span>±</span> 0.003 </td> | ||
| <td> N/A </td> | ||
| <td>0.915 <span>±</span> 0.002 </td> | ||
| </tr> | ||
| <tr> | ||
| <td> 2 </td> | ||
| <td> Lantern RADR Logistic Regression </td> | ||
| <td> Lantern RADR Deep Neural Network </td> | ||
| <td><a href="mailto:[email protected]">Rick Fontenot</a></td> | ||
| <td><a href="https://github.com/lanternpharma/tdc-bbb-martins"> GitHub</a>, <a href="https://github.com/lanternpharma/tdc-bbb-martins/blob/main/Lantern_TDC_BBBmartins.pdf">Paper </a></td> | ||
| <td> 456 </td> | ||
| <td>0.956 <span>±</span> 0.006 </td> | ||
| <td> N/A </td> | ||
| <td>0.912 <span>±</span> 0.003 </td> | ||
| </tr> | ||
| <tr> | ||
| <td> 3 </td> | ||
| <td> Lantern RADR Deep Neural Network </td> | ||
| <td><a href="mailto:[email protected]">Rick Fontenot</a></td> | ||
| <td><a href="https://github.com/lanternpharma/tdc-bbb-martins"> GitHub</a>, <a href="https://github.com/lanternpharma/tdc-bbb-martins/blob/main/Lantern_TDC_BBBmartins.pdf">Paper </a></td> | ||
| <td> 266,881 </td> | ||
| <td>0.949 <span>±</span> 0.004 </td> | ||
| <td> ZairaChem </td> | ||
| <td><a href="mailto:[email protected]">Gemma Turon </a></td> | ||
| <td><a href="https://github.com/ersilia-os/zaira-chem-tdc-benchmark"> GitHub</a>, <a href="https://www.biorxiv.org/content/10.1101/2022.12.13.520154v1">Paper </a></td> | ||
| <td> N/A </td> | ||
| <td>0.910 <span>±</span> 0.024 </td> | ||
| </tr> | ||
| <tr> | ||
| <td> 4 </td> | ||
| <td> Lantern RADR Random Forest </td> | ||
| <td><a href="mailto:[email protected]">Rick Fontenot</a></td> | ||
| <td><a href="https://github.com/lanternpharma/tdc-bbb-martins"> GitHub</a>, <a href="https://github.com/lanternpharma/tdc-bbb-martins/blob/main/Lantern_TDC_BBBmartins.pdf">Paper </a></td> | ||
| <td> 319 </td> | ||
| <td>0.928 <span>±</span> 0.002 </td> | ||
| <td>0.908 <span>±</span> 0.002 </td> | ||
| </tr> | ||
| <tr> | ||
| <td> 5 </td> | ||
| <td> ZairaChem </td> | ||
| <td><a href="mailto:[email protected]">Gemma Turon </a></td> | ||
| <td><a href="https://github.com/ersilia-os/zaira-chem-tdc-benchmark"> GitHub</a>, <a href="https://www.biorxiv.org/content/10.1101/2022.12.13.520154v1">Paper </a></td> | ||
| <td> N/A </td> | ||
| <td>0.910 <span>±</span> 0.024 </td> | ||
| <td> Lantern RADR SVM </td> | ||
| <td><a href="mailto:[email protected]">Rick Fontenot</a></td> | ||
| <td><a href="https://github.com/lanternpharma/tdc-bbb-martins"> GitHub</a>, <a href="https://github.com/lanternpharma/tdc-bbb-martins/blob/main/Lantern_TDC_BBBmartins.pdf">Paper </a></td> | ||
| <td> 241 </td> | ||
| <td>0.905 <span>±</span> 0.007 </td> | ||
| </tr> | ||
| <tr> | ||
| <td> 6 </td> | ||
| <td> Lantern RADR Logistic Regression </td> | ||
| <td><a href="mailto:[email protected]">Rick Fontenot</a></td> | ||
| <td><a href="https://github.com/lanternpharma/tdc-bbb-martins"> GitHub</a>, <a href="https://github.com/lanternpharma/tdc-bbb-martins/blob/main/Lantern_TDC_BBBmartins.pdf">Paper </a></td> | ||
| <td> 456 </td> | ||
| <td>0.903 <span>±</span> 0.002 </td> | ||
| </tr> | ||
| <tr> | ||
| <td> 7 </td> | ||
| <td> SimGCN </td> | ||
| <td><a href="mailto:[email protected]">Suman Kalyan Bera</a></td> | ||
| <td><a href="https://github.com/KatanaGraph/SimGCN-TDC"> GitHub</a>, <a href="https://github.com/KatanaGraph/SimGCN-TDC/blob/main/Report_SimGCN_for_TDC_Benchmarks.pdf">Paper </a></td> | ||
| <td> 1,103,000 </td> | ||
| <td>0.901 <span>±</span> 0.007 </td> | ||
| </tr> | ||
| <tr> | ||
| <td> 7 </td> | ||
| <td> 8 </td> | ||
| <td> ContextPred </td> | ||
| <td><a href="mailto:[email protected]">Kexin Huang</a></td> | ||
| <td><a href="https://github.com/mims-harvard/TDC/tree/main/examples/single_pred/admet"> GitHub</a>, <a href="https://arxiv.org/abs/1905.12265">Paper </a></td> | ||
| <td> 2,067,053 </td> | ||
| <td>0.897 <span>±</span> 0.004 </td> | ||
| </tr> | ||
| <tr> | ||
| <td> 8 </td> | ||
| <td> 9 </td> | ||
| <td> AttrMasking </td> | ||
| <td><a href="mailto:[email protected]">Kexin Huang</a></td> | ||
| <td><a href="https://github.com/mims-harvard/TDC/tree/main/examples/single_pred/admet"> GitHub</a>, <a href="https://arxiv.org/abs/1905.12265">Paper </a></td> | ||
| <td> 2,067,053 </td> | ||
| <td>0.892 <span>±</span> 0.012 </td> | ||
| </tr> | ||
| <tr> | ||
| <td> 9 </td> | ||
| <td> 10 </td> | ||
| <td> RDKit2D + MLP (DeepPurpose) </td> | ||
| <td><a href="mailto:[email protected]">Kexin Huang</a></td> | ||
| <td><a href="https://github.com/mims-harvard/TDC/tree/master/examples/single_pred/admet"> GitHub</a>, <a href="https://doi.org/10.1093/bioinformatics/btaa1005">Paper </a></td> | ||
| <td> 633,409 </td> | ||
| <td>0.889 <span>±</span> 0.016 </td> | ||
| </tr> | ||
| <tr> | ||
| <td> 10 </td> | ||
| <td> 11 </td> | ||
| <td> Chemprop-RDKit </td> | ||
| <td><a href="mailto:[email protected]">Kyle Swanson</a></td> | ||
| <td><a href="https://github.com/chemprop/chemprop"> GitHub</a>, <a href="https://pubs.acs.org/doi/full/10.1021/acs.jcim.9b00237">Paper </a></td> | ||
| <td> N/A </td> | ||
| <td>0.868 <span>±</span> 0.027 </td> | ||
| <td>0.869 <span>±</span> 0.027 </td> | ||
| </tr> | ||
| <tr> | ||
| <td> 11 </td> | ||
| <td> 12 </td> | ||
| <td> AttentiveFP </td> | ||
| <td><a href="mailto:[email protected]">Kexin Huang</a></td> | ||
| <td><a href="https://github.com/mims-harvard/TDC/tree/main/examples/single_pred/admet"> GitHub</a>, <a href="https://pubmed.ncbi.nlm.nih.gov/31408336/">Paper </a></td> | ||
| <td> 300,806 </td> | ||
| <td>0.855 <span>±</span> 0.011 </td> | ||
| </tr> | ||
| <tr> | ||
| <td> 12 </td> | ||
| <td> 13 </td> | ||
| <td> GCN </td> | ||
| <td><a href="mailto:[email protected]">Kexin Huang</a></td> | ||
| <td><a href="https://github.com/mims-harvard/TDC/tree/main/examples/single_pred/admet"> GitHub</a>, <a href="https://arxiv.org/abs/1609.02907">Paper </a></td> | ||
| <td> 191,810 </td> | ||
| <td>0.842 <span>±</span> 0.016 </td> | ||
| </tr> | ||
| <tr> | ||
| <td> 13 </td> | ||
| <td> 14 </td> | ||
| <td> NeuralFP </td> | ||
| <td><a href="mailto:[email protected]">Kexin Huang</a></td> | ||
| <td><a href="https://github.com/mims-harvard/TDC/tree/main/examples/single_pred/admet"> GitHub</a>, <a href="https://ieeexplore.ieee.org/document/9412489">Paper </a></td> | ||
| <td> 480,193 </td> | ||
| <td>0.836 <span>±</span> 0.009 </td> | ||
| </tr> | ||
| <tr> | ||
| <td> 14 </td> | ||
| <td> 15 </td> | ||
| <td> Morgan + MLP (DeepPurpose) </td> | ||
| <td><a href="mailto:[email protected]">Kexin Huang</a></td> | ||
| <td><a href="https://github.com/mims-harvard/TDC/tree/master/examples/single_pred/admet"> GitHub</a>, <a href="https://doi.org/10.1093/bioinformatics/btaa1005">Paper </a></td> | ||
| <td> 1,477,185 </td> | ||
| <td>0.823 <span>±</span> 0.015 </td> | ||
| </tr> | ||
| <tr> | ||
| <td> 15 </td> | ||
| <td> 16 </td> | ||
| <td> Chemprop </td> | ||
| <td><a href="mailto:[email protected]">Kyle Swanson</a></td> | ||
| <td><a href="https://github.com/chemprop/chemprop"> GitHub</a>, <a href="https://pubs.acs.org/doi/full/10.1021/acs.jcim.9b00237">Paper </a></td> | ||
| <td> N/A </td> | ||
| <td>0.820 <span>±</span> 0.112 </td> | ||
| <td>0.821 <span>±</span> 0.112 </td> | ||
| </tr> | ||
| <tr> | ||
| <td> 16 </td> | ||
| <td> 17 </td> | ||
| <td> Basic ML </td> | ||
| <td><a href="mailto:[email protected]">Nilavo Boral</a></td> | ||
| <td><a href="https://github.com/NilavoBoral/Therapeutics-Data-Commons"> GitHub</a>, <a href="https://www.biorxiv.org/content/10.1101/2022.06.29.115436v1">Paper </a></td> | ||
| <td> N/A </td> | ||
| <td>0.811 <span>±</span> 0.013 </td> | ||
| </tr> | ||
| <tr> | ||
| <td> 17 </td> | ||
| <td> 18 </td> | ||
| <td> CNN (DeepPurpose) </td> | ||
| <td><a href="mailto:[email protected]">Kexin Huang</a></td> | ||
| <td><a href="https://github.com/mims-harvard/TDC/tree/master/examples/single_pred/admet"> GitHub</a>, <a href="https://doi.org/10.1093/bioinformatics/btaa1005">Paper </a></td> | ||
| <td> 226,625 </td> | ||
| <td>0.781 <span>±</span> 0.030 </td> | ||
| </tr> | ||
| <tr> | ||
| <td> 18 </td> | ||
| <td> 19 </td> | ||
| <td> Euclia ML model </td> | ||
| <td><a href="mailto:[email protected]">Euclia</a></td> | ||
| <td><a href="https://github.com/euclia/public-models"> GitHub</a>, <a href="https://github.com/euclia/public-models">Paper </a></td> | ||
|
|
||
This file contains bidirectional Unicode text that may be interpreted or compiled differently than what appears below. To review, open the file in an editor that reveals hidden Unicode characters.
Learn more about bidirectional Unicode characters
| Original file line number | Diff line number | Diff line change |
|---|---|---|
|
|
@@ -335,7 +335,7 @@ <h3 id="leaderboard">Leaderboard</h3> | |
| <td><a href="mailto:[email protected]">Kyle Swanson</a></td> | ||
| <td><a href="https://github.com/chemprop/chemprop"> GitHub</a>, <a href="https://pubs.acs.org/doi/full/10.1021/acs.jcim.9b00237">Paper </a></td> | ||
| <td> N/A </td> | ||
| <td>7.811 <span>±</span> 0.163 </td> | ||
| <td>7.788 <span>±</span> 0.210 </td> | ||
| </tr> | ||
| <tr> | ||
| <td> 2 </td> | ||
|
|
@@ -351,7 +351,7 @@ <h3 id="leaderboard">Leaderboard</h3> | |
| <td><a href="mailto:[email protected]">Kyle Swanson</a></td> | ||
| <td><a href="https://github.com/chemprop/chemprop"> GitHub</a>, <a href="https://pubs.acs.org/doi/full/10.1021/acs.jcim.9b00237">Paper </a></td> | ||
| <td> N/A </td> | ||
| <td>8.312 <span>±</span> 0.180 </td> | ||
| <td>8.288 <span>±</span> 0.173 </td> | ||
| </tr> | ||
| <tr> | ||
| <td> 4 </td> | ||
|
|
||
This file contains bidirectional Unicode text that may be interpreted or compiled differently than what appears below. To review, open the file in an editor that reveals hidden Unicode characters.
Learn more about bidirectional Unicode characters
| Original file line number | Diff line number | Diff line change |
|---|---|---|
|
|
@@ -379,20 +379,20 @@ <h3 id="leaderboard">Leaderboard</h3> | |
| </tr> | ||
| <tr> | ||
| <td> 7 </td> | ||
| <td> Chemprop </td> | ||
| <td><a href="mailto:[email protected]">Kyle Swanson</a></td> | ||
| <td><a href="https://github.com/chemprop/chemprop"> GitHub</a>, <a href="https://pubs.acs.org/doi/full/10.1021/acs.jcim.9b00237">Paper </a></td> | ||
| <td> N/A </td> | ||
| <td>0.491 <span>±</span> 0.046 </td> | ||
| </tr> | ||
| <tr> | ||
| <td> 8 </td> | ||
| <td> ContextPred </td> | ||
| <td><a href="mailto:[email protected]">Kexin Huang</a></td> | ||
| <td><a href="https://github.com/mims-harvard/TDC/tree/main/examples/single_pred/admet"> GitHub</a>, <a href="https://arxiv.org/abs/1905.12265">Paper </a></td> | ||
| <td> 2,067,053 </td> | ||
| <td>0.485 <span>±</span> 0.092 </td> | ||
| </tr> | ||
| <tr> | ||
| <td> 8 </td> | ||
| <td> Chemprop </td> | ||
| <td><a href="mailto:[email protected]">Kyle Swanson</a></td> | ||
| <td><a href="https://github.com/chemprop/chemprop"> GitHub</a>, <a href="https://pubs.acs.org/doi/full/10.1021/acs.jcim.9b00237">Paper </a></td> | ||
| <td> N/A </td> | ||
| <td>0.474 <span>±</span> 0.048 </td> | ||
| </tr> | ||
| <tr> | ||
| <td> 9 </td> | ||
| <td> GCN </td> | ||
|
|
@@ -407,7 +407,7 @@ <h3 id="leaderboard">Leaderboard</h3> | |
| <td><a href="mailto:[email protected]">Kyle Swanson</a></td> | ||
| <td><a href="https://github.com/chemprop/chemprop"> GitHub</a>, <a href="https://pubs.acs.org/doi/full/10.1021/acs.jcim.9b00237">Paper </a></td> | ||
| <td> N/A </td> | ||
| <td>0.394 <span>±</span> 0.076 </td> | ||
| <td>0.389 <span>±</span> 0.075 </td> | ||
| </tr> | ||
| <tr> | ||
| <td> 11 </td> | ||
|
|
||
Oops, something went wrong.