Charge density prediction on QM9 original (test)
675.47Throughput (Mol/min)eSCN
Evaluation Results
| Method | Links | ||
|---|---|---|---|
| eSCNK=4, L=3, beta=2, Virtual Orbitals=false, fine-tuned=false2024.05 | 675.47 | — | |
| eSCNK=4, L=3, beta=2, Virtual Orbitals=false, fine-tuned=true2024.05 | 644 | — | |
| eSCNK=8, L=6, beta=2, Virtual Orbitals=false, fine-tuned=false2024.05 | 567.19 | — | |
| eSCNK=8, L=6, beta=2, Virtual Orbitals=false, fine-tuned=true2024.05 | 544.56 | — | |
| eSCNK=8, L=6, beta=1.5, Virtual Orbitals=false, fine-tuned=false2024.05 | 442.25 | — | |
| eSCNK=8, L=6, beta=1.5, Virtual Orbitals=false, fine-tuned=true2024.05 | 419.57 | — | |
| eSCN + VOK=8, L=6, beta=2, Virtual Orbitals=true, fine-tuned=false2024.05 | 231.21 | — | |
| eSCN + VOK=8, L=6, beta=2, Virtual Orbitals=true, fine-tuned=true2024.05 | 221.19 | — | |
| eSCN + VOK=8, L=6, beta=1.5, Virtual Orbitals=true, fine-tuned=false2024.05 | 177.14 | — | |
| eSCN + VOK=8, L=6, beta=1.5, Virtual Orbitals=true, fine-tuned=true2024.05 | 164.94 | — | |
| eSCN + VOK=8, L=6, beta=1.3, Virtual Orbitals=true, fine-tuned=false2024.05 | 136.92 | — | |
| eSCN + VOK=8, L=6, beta=1.3, Virtual Orbitals=true, fine-tuned=true2024.05 | 125.29 | — | |
| InfGCN2024.05 | 72 | — | |
| ChargE3Net2024.05 | 3.95 | — |