Datasets:
Modalities:
Image
Size:
n<1K
Tags:
chemistry
ionic-liquids
thermodynamics
activity-coefficients
molecular-property-prediction
cosmo-rs
DOI:
License:
COSMOBridge: dataset, frozen predictions, DFT outputs, checkpoints and analysis scripts
a5ae347 verified | { | |
| "gamma1": { | |
| "dR2": 0.07867596298456192, | |
| "ci": [ | |
| 0.014407866075634957, | |
| 0.20001416169106934 | |
| ], | |
| "p": 0.0104 | |
| }, | |
| "gamma2": { | |
| "dR2": 0.07924842461943626, | |
| "ci": [ | |
| 0.023140733968466522, | |
| 0.2299494586884974 | |
| ], | |
| "p": 0.0011 | |
| }, | |
| "G_E": { | |
| "dR2": -0.0439278781414032, | |
| "ci": [ | |
| -0.10030324012041092, | |
| 0.0028073243796825405 | |
| ], | |
| "p": 0.0649 | |
| }, | |
| "H_E": { | |
| "dR2": -0.0040358006954193115, | |
| "ci": [ | |
| -0.03920365869998932, | |
| 0.03626454249024387 | |
| ], | |
| "p": 0.802 | |
| }, | |
| "G_mix": { | |
| "dR2": -0.044540613889694214, | |
| "ci": [ | |
| -0.10524526312947273, | |
| 0.004129801690578406 | |
| ], | |
| "p": 0.0727 | |
| }, | |
| "H_vap": { | |
| "dR2": -0.02710375189781189, | |
| "ci": [ | |
| -0.16535138338804245, | |
| 0.11434249281883217 | |
| ], | |
| "p": 0.6775 | |
| }, | |
| "P": { | |
| "dR2": 0.011381939053535461, | |
| "ci": [ | |
| -0.2130204916000366, | |
| 0.14400912411510938 | |
| ], | |
| "p": 0.7788 | |
| } | |
| } |