feat: update sampling results (#3)
Browse files- feat: update sampling results (a1f9be2ed749fd19a33f695b68f0576c4b5be5c8)
- MACE-MP_ext/sampling/result.json +259 -81
- MACE-OFF_ext/sampling/result.json +257 -79
- MACE-SPICE2_int/sampling/result.json +146 -106
- NequIP-SPICE2_int/sampling/result.json +254 -76
- UMA-small_ext/sampling/result.json +256 -78
- ViSNet-SPICE2-t1x_int/sampling/result.json +145 -105
- ViSNet-SPICE2_int/sampling/result.json +256 -78
MACE-MP_ext/sampling/result.json
CHANGED
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MACE-OFF_ext/sampling/result.json
CHANGED
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MACE-SPICE2_int/sampling/result.json
CHANGED
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@@ -1,144 +1,184 @@
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NequIP-SPICE2_int/sampling/result.json
CHANGED
|
@@ -1,144 +1,322 @@
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| 1 |
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| 13 |
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| 14 |
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| 23 |
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| 25 |
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| 26 |
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| 27 |
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| 28 |
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UMA-small_ext/sampling/result.json
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ViSNet-SPICE2-t1x_int/sampling/result.json
CHANGED
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ViSNet-SPICE2_int/sampling/result.json
CHANGED
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@@ -1,144 +1,322 @@
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"outliers_ratio_sidechain_dihedrals": {
|
| 307 |
+
"GLU": 0.76,
|
| 308 |
+
"TYR": 0.5,
|
| 309 |
+
"PRO": 0.0,
|
| 310 |
"THR": 0.0,
|
| 311 |
+
"ASP": 0.14,
|
| 312 |
+
"TRP": 0.06,
|
| 313 |
+
"GLN": 0.04,
|
| 314 |
+
"LEU": 0.1,
|
| 315 |
+
"LYS": 0.16,
|
| 316 |
+
"SER": 0.0,
|
| 317 |
+
"ARG": 0.01,
|
| 318 |
+
"ILE": 0.0,
|
| 319 |
+
"HIS": 0.0,
|
| 320 |
+
"ASN": 0.0
|
| 321 |
}
|
| 322 |
}
|