Datasets:

graphs-datasets
/

MD17-aspirin

Tasks:

Graph Machine Learning

Formats:

Size:

ArXiv:

Libraries:

Dataset card Viewer Files Files and versions Community

clefourrier HF staff commited on Sep 2, 2022

Commit

cd3e1fa

•

1 Parent(s): 07f723a

Update README.md

Files changed (1) hide show

README.md +0 -1

README.md CHANGED Viewed

@@ -23,7 +23,6 @@ licence: unknown
 ## Dataset Description
 - **[Homepage](http://www.sgdml.org/#datasets)**
 - **Paper:**:  (see citation)
-- **Leaderboard:**: [Papers with code leaderboard](https://paperswithcode.com/sota/graph-classification-on-aspirin)
 ### Dataset Summary
 The `aspirin` dataset is a molecular dynamics (MD) dataset. The total energy and force labels for each dataset were computed using the PBE+vdW-TS electronic structure method. All geometries are in Angstrom, energies and forces are given in kcal/mol and kcal/mol/A respectively.

 ## Dataset Description
 - **[Homepage](http://www.sgdml.org/#datasets)**
 - **Paper:**:  (see citation)
 ### Dataset Summary
 The `aspirin` dataset is a molecular dynamics (MD) dataset. The total energy and force labels for each dataset were computed using the PBE+vdW-TS electronic structure method. All geometries are in Angstrom, energies and forces are given in kcal/mol and kcal/mol/A respectively.