fix: rebuild score.json overall_score from per-benchmark result.json (undo subset-clobber); drop renamed small_molecule_minimization from MACE-OFF/MP

MACE-MP_ext/score.json

@@ -1,22 +1,21 @@
 {
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-  "ring_planarity": 0.0,
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   "folding_stability": 1.0,
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-  "solvent_density": 0.0,
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+  "nudged_elastic_band": 0.29,
+  "nve_energy_conservation": 1.0,
+  "reactivity": 0.14605534159264166,
+  "reference_geometry_stability": 1.0,
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+  "sampling": 0.6199215793720452,
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+  "tautomers": 0.011155839707037462,
+  "water_density": 0.7341364409481128,
+  "water_radial_distribution": 0.46401037096676506,
+  "overall_score": 0.6069650506256693
 }

MACE-MP_ext/small_molecule_minimization/result.json

@@ -1,238 +0,0 @@
-{
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MACE-OFF_ext/score.json

@@ -1,22 +1,21 @@
 {
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+  "water_radial_distribution": 0.5810416805685237,
+  "overall_score": 0.6469964877951669
 }

MACE-OFF_ext/small_molecule_minimization/result.json

@@ -1,238 +0,0 @@
-{
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MACE-t1x_int/score.json

@@ -1,21 +1,9 @@
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NequIP-SPICE2_int/score.json

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NequIP-t1x_int/score.json

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ViSNet-SPICE2-t1x_int/score.json

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ViSNet-SPICE2_int/score.json

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ViSNet-t1x_int/score.json

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