Molecules
Benchmarks
Task NameDataset NameSOTA ResultTrendResults
10K Molecules Drug-related task set
100Validity
14
Larger molecules
-284.433Ground-state Energy (Ha)
10
1,000 unseen molecules (test)
1Ranking
9
MOLECULES
74.22AUC
8
180 Molecules (test)
85Success Rate (Iter 100)
7
64-atom molecules dataset
646Seq. Read (mol/s)
6
Molecules OOD-Comp
1.35Total Energy
4