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experiments/measure_metrics/scripts/logs/metrics_phendiff.err
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experiments/measure_metrics/scripts/logs/metrics_phendiff.out
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| Original file line number | Diff line number | Diff line change |
|---|---|---|
| @@ -0,0 +1,24 @@ | ||
| Evaluate on molecule AZ138 | ||
| FID score 101.28308683329675 | ||
| D&C score {'precision': 0.8907692307692308, 'recall': 0.0, 'density': 0.8531538461538463, 'coverage': 0.0655980271270037} | ||
| Accuracy 0.0 | ||
| Evaluate on molecule AZ258 | ||
| FID score 98.56389614258345 | ||
| D&C score {'precision': 0.9686538461538462, 'recall': 0.0, 'density': 0.8658846153846155, 'coverage': 0.0602247191011236} | ||
| Accuracy 0.859423076923077 | ||
| Evaluate on molecule DMSO | ||
| FID score 104.72601983173962 | ||
| D&C score {'precision': 0.9373076923076923, 'recall': 0.0, 'density': 0.9963076923076923, 'coverage': 0.06019230769230769} | ||
| Accuracy 0.796923076923077 | ||
| Evaluate on molecule cytochalasin B | ||
| FID score 88.68632140499301 | ||
| D&C score {'precision': 0.890576923076923, 'recall': 0.0, 'density': 0.9253846153846155, 'coverage': 0.15853658536585366} | ||
| Accuracy 0.0 | ||
| Evaluate on molecule taxol | ||
| FID score 119.52738845307815 | ||
| D&C score {'precision': 0.9217307692307692, 'recall': 0.0, 'density': 1.0378461538461539, 'coverage': 0.2076700434153401} | ||
| Accuracy 0.10923076923076923 | ||
| Evaluate on molecule vincristine | ||
| FID score 113.82268527099319 | ||
| D&C score {'precision': 0.859423076923077, 'recall': 0.0, 'density': 0.9096153846153847, 'coverage': 0.07905251141552512} | ||
| Accuracy 0.0 |
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experiments/measure_metrics/scripts/logs/metrics_phendiff_plot.err
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experiments/measure_metrics/scripts/logs/metrics_phendiff_plot.out
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| Original file line number | Diff line number | Diff line change |
|---|---|---|
| @@ -0,0 +1,21 @@ | ||
| Evaluate on molecule AZ138 | ||
| FID score 101.2819859836793 | ||
| D&C score {'precision': 0.8907692307692308, 'recall': 0.0, 'density': 0.8531538461538463, 'coverage': 0.0655980271270037} | ||
| Accuracy 0.0 | ||
| Evaluate on molecule AZ258 | ||
| FID score 98.563049073131 | ||
| D&C score {'precision': 0.9686538461538462, 'recall': 0.0, 'density': 0.8658846153846155, 'coverage': 0.0602247191011236} | ||
| Accuracy 0.859423076923077 | ||
| Evaluate on molecule DMSO | ||
| Evaluate on molecule cytochalasin B | ||
| FID score 88.68666874100126 | ||
| D&C score {'precision': 0.890576923076923, 'recall': 0.0, 'density': 0.9253846153846155, 'coverage': 0.15853658536585366} | ||
| Accuracy 0.0 | ||
| Evaluate on molecule taxol | ||
| FID score 119.52845417959307 | ||
| D&C score {'precision': 0.9217307692307692, 'recall': 0.0, 'density': 1.0378461538461539, 'coverage': 0.2076700434153401} | ||
| Accuracy 0.10923076923076923 | ||
| Evaluate on molecule vincristine | ||
| FID score 113.82265629802765 | ||
| D&C score {'precision': 0.859423076923077, 'recall': 0.0, 'density': 0.9096153846153847, 'coverage': 0.07905251141552512} | ||
| Accuracy 0.0 |
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experiments/measure_metrics/scripts/logs/metrics_stytr.err
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experiments/measure_metrics/scripts/logs/metrics_stytr.out
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| Original file line number | Diff line number | Diff line change |
|---|---|---|
| @@ -0,0 +1,63 @@ | ||
| Evaluate on molecule AZ138 | ||
| FID score 72.35948702127669 | ||
| D&C score {'precision': 0.5948076923076923, 'recall': 0.3057692307692308, 'density': 1.0097307692307693, 'coverage': 0.37615384615384617} | ||
| Accuracy 0.0 | ||
| Evaluate on molecule AZ258 | ||
| FID score 105.04731469366536 | ||
| D&C score {'precision': 0.4888461538461538, 'recall': 0.33576923076923076, 'density': 0.5422307692307692, 'coverage': 0.34442307692307694} | ||
| Accuracy 0.09326923076923077 | ||
| Evaluate on molecule cytochalasin B | ||
| FID score 78.53128104806385 | ||
| D&C score {'precision': 0.10634615384615384, 'recall': 0.36153846153846153, 'density': 0.11230769230769232, 'coverage': 0.030576923076923078} | ||
| Accuracy 0.024615384615384615 | ||
| Evaluate on molecule taxol | ||
| FID score 92.00419475081696 | ||
| D&C score {'precision': 0.04557692307692308, 'recall': 0.2569230769230769, 'density': 0.04842307692307693, 'coverage': 0.008461538461538461} | ||
| Accuracy 0.06153846153846154 | ||
| Evaluate on molecule vincristine | ||
| FID score 71.02179340934231 | ||
| D&C score {'precision': 0.5848076923076924, 'recall': 0.2173076923076923, 'density': 1.2144615384615385, 'coverage': 0.33134615384615385} | ||
| Accuracy 0.05269230769230769 | ||
| Evaluate on molecule DMSO | ||
| Evaluate on molecule AZ138 | ||
| FID score 73.08715639901257 | ||
| D&C score {'precision': 0.5855769230769231, 'recall': 0.3151923076923077, 'density': 0.9928076923076923, 'coverage': 0.37384615384615383} | ||
| Accuracy 0.0003846153846153846 | ||
| Evaluate on molecule AZ258 | ||
| FID score 102.11149928677963 | ||
| D&C score {'precision': 0.47673076923076924, 'recall': 0.3392307692307692, 'density': 0.5295, 'coverage': 0.34807692307692306} | ||
| Accuracy 0.10538461538461538 | ||
| Evaluate on molecule cytochalasin B | ||
| FID score 78.48538491246651 | ||
| D&C score {'precision': 0.13596153846153847, 'recall': 0.40923076923076923, 'density': 0.1325, 'coverage': 0.028846153846153848} | ||
| Accuracy 0.022692307692307692 | ||
| Evaluate on molecule taxol | ||
| FID score 92.56909009113761 | ||
| D&C score {'precision': 0.030384615384615385, 'recall': 0.2851923076923077, 'density': 0.027153846153846157, 'coverage': 0.008076923076923077} | ||
| Accuracy 0.05442307692307692 | ||
| Evaluate on molecule vincristine | ||
| FID score 70.40628971972768 | ||
| D&C score {'precision': 0.6084615384615385, 'recall': 0.21096153846153845, 'density': 1.1301538461538463, 'coverage': 0.34326923076923077} | ||
| Accuracy 0.04923076923076923 | ||
| Evaluate on molecule DMSO | ||
| Evaluate on molecule AZ138 | ||
| FID score 72.18547455243771 | ||
| D&C score {'precision': 0.5698076923076923, 'recall': 0.32596153846153847, 'density': 0.9452692307692309, 'coverage': 0.3917307692307692} | ||
| Accuracy 0.0 | ||
| Evaluate on molecule AZ258 | ||
| FID score 103.07342863473622 | ||
| D&C score {'precision': 0.495, 'recall': 0.3551923076923077, 'density': 0.5718461538461538, 'coverage': 0.3448076923076923} | ||
| Accuracy 0.0975 | ||
| Evaluate on molecule cytochalasin B | ||
| FID score 77.68056740278163 | ||
| D&C score {'precision': 0.08807692307692308, 'recall': 0.36038461538461536, 'density': 0.08092307692307693, 'coverage': 0.022307692307692306} | ||
| Accuracy 0.025576923076923077 | ||
| Evaluate on molecule taxol | ||
| FID score 92.63638962574268 | ||
| D&C score {'precision': 0.04, 'recall': 0.26, 'density': 0.024461538461538465, 'coverage': 0.0055769230769230765} | ||
| Accuracy 0.050576923076923075 | ||
| Evaluate on molecule vincristine | ||
| FID score 71.36662550463387 | ||
| D&C score {'precision': 0.6126923076923076, 'recall': 0.22538461538461538, 'density': 1.1611923076923076, 'coverage': 0.3521153846153846} | ||
| Accuracy 0.056346153846153844 | ||
| Evaluate on molecule DMSO |
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