Molecular Energy Prediction on OMol25 (test)
3.43Average RankAllScAIP-md-d.
Evaluation results
| Method | Links | ||||||||
|---|---|---|---|---|---|---|---|---|---|
| AllScAIP-md-d.Energy Cons.=false, Training Set=OMol-102M2026.03 | 3.43 | 29.496 | 4.149 | 4.985 | 16.104 | 10.082 | 143.035 | 350.825 | |
| AllScAIP-md-cons.Energy Cons.=true, Training Set=OMol-102M2026.03 | 4.14 | 50.532 | 4.103 | 3.874 | 17.092 | 36.145 | 148.976 | 317.4 | |
| eSEN-md-d.Energy Cons.=false, Training Set=OMol-102M2026.03 | 4.14 | 64.246 | 3.113 | 3.566 | 14.988 | 109.767 | 145.776 | 303.883 | |
| UMA-M-1p1Energy Cons.=true, Training Set=UMA-459M2026.03 | 4.86 | 76.778 | 2.962 | 2.532 | 18.457 | 138.094 | 136.386 | 335.058 | |
| UMA-S-1p2Energy Cons.=true, Training Set=UMA-520M2026.03 | 5 | 66.604 | 4.365 | 3.738 | 18.914 | 32.174 | 176.939 | 246.565 | |
| AllScAIP-sm-ft-cons.Energy Cons.=true, Training Set=OMol-102M2026.03 | 6.29 | 58.45 | 4.77 | 4.106 | 27.515 | 15.473 | 168.858 | 341.708 | |
| AllScAIP-md-ft-cons.Energy Cons.=true, Training Set=OMol-4M2026.03 | 6.43 | 46.727 | 4.839 | 5.172 | 19.399 | 16.473 | 169.104 | 367.133 | |
| AllScAIP-sm-ft-cons.Energy Cons.=true, Training Set=OMol-4M2026.03 | 8.71 | 78.26 | 4.559 | 5.343 | 24.614 | 23.492 | 198.899 | 401.358 | |
| GemNet-OC-r12Energy Cons.=false, Training Set=OMol-102M2026.03 | 9.71 | 19.373 | 8.381 | 12.049 | 31.645 | 77.074 | 177.457 | 373.831 | |
| eSEN-sm-cons.Energy Cons.=true, Training Set=OMol-102M2026.03 | 10.57 | 147.261 | 4.656 | 4.487 | 21.77 | 196.964 | 222.827 | 391.469 | |
| GemNet-OC-r6Energy Cons.=false, Training Set=OMol-102M2026.03 | 10.86 | 47.022 | 9.554 | 11.479 | 36.925 | 80.683 | 199.721 | 370.975 | |
| UMA-S-1p1Energy Cons.=true, Training Set=UMA-459M2026.03 | 11.14 | 127.723 | 4.856 | 5.17 | 27.969 | 194.688 | 206.872 | 369.181 | |
| eSEN-md-d.Energy Cons.=false, Training Set=OMol-4M2026.03 | 11.14 | 98.337 | 4.508 | 5.369 | 24.975 | 111.063 | 240.212 | 430.753 | |
| GemNet-OC-r12Energy Cons.=false, Training Set=OMol-4M2026.03 | 12.86 | 36.221 | 12.489 | 19.797 | 50.773 | 99.995 | 237.682 | 490.463 | |
| mace-omol-L-0Energy Cons.=true, Training Set=OMol-102M2026.03 | 14.29 | 297.404 | 7.954 | 6.782 | 25.107 | 244.834 | 338.795 | 438.891 | |
| eSEN-sm-cons.Energy Cons.=true, Training Set=OMol-4M2026.03 | 14.43 | 243.883 | 5.85 | 6.811 | 35.754 | 232.839 | 293.12 | 478.242 | |
| GemNet-OC-r6Energy Cons.=false, Training Set=OMol-4M2026.03 | 15 | 96.043 | 13.27 | 23.355 | 52.16 | 83.296 | 329.993 | 559.08 |