Update oral V25 L5 to degree 24 and refit per-level targets
Browse files- README.md +2 -2
- calibration.json +4 -4
- manifest.json +11 -11
- record_coverage.json +11 -11
- test_ranking/data.parquet +2 -2
- train/data.parquet +2 -2
- validation_ranking/data.parquet +2 -2
README.md
CHANGED
|
@@ -12,7 +12,7 @@ configs:
|
|
| 12 |
# Oral bioavailability V25
|
| 13 |
|
| 14 |
Independent L2-L6 releases derived from the frozen consolidated oral V24.1 splits.
|
| 15 |
-
Record degree is six separately for query and reference roles. Parent molecule
|
| 16 |
budgets remain 4096 per role, level, and binary/nonbinary family. Minority-first
|
| 17 |
sampling, compatible-endpoint repair, and final binary 75/25 trimming are retained.
|
| 18 |
Low degree and binary trimming can leave records unused; see record_coverage.json.
|
|
@@ -32,4 +32,4 @@ Internal v24.2 sampler/schema names identify reused algorithms, not the release.
|
|
| 32 |
|
| 33 |
Level: L5
|
| 34 |
|
| 35 |
-
Pair rows: {'train':
|
|
|
|
| 12 |
# Oral bioavailability V25
|
| 13 |
|
| 14 |
Independent L2-L6 releases derived from the frozen consolidated oral V24.1 splits.
|
| 15 |
+
Record degree is 24 for L5 and six for L2/L3/L4/L6, separately for query and reference roles. Parent molecule
|
| 16 |
budgets remain 4096 per role, level, and binary/nonbinary family. Minority-first
|
| 17 |
sampling, compatible-endpoint repair, and final binary 75/25 trimming are retained.
|
| 18 |
Low degree and binary trimming can leave records unused; see record_coverage.json.
|
|
|
|
| 32 |
|
| 33 |
Level: L5
|
| 34 |
|
| 35 |
+
Pair rows: {'train': 29954, 'validation_ranking': 23836, 'test_ranking': 22957}
|
calibration.json
CHANGED
|
@@ -34475,10 +34475,10 @@
|
|
| 34475 |
"group_by": "level",
|
| 34476 |
"levels": {
|
| 34477 |
"L5": {
|
| 34478 |
-
"far_numeric_pair_count":
|
| 34479 |
-
"match_probability": 0.
|
| 34480 |
-
"mismatch_probability": 0.
|
| 34481 |
-
"near_numeric_pair_count":
|
| 34482 |
}
|
| 34483 |
},
|
| 34484 |
"schema_version": "assay_transfer_empirical_binary_targets.v24.2.level",
|
|
|
|
| 34475 |
"group_by": "level",
|
| 34476 |
"levels": {
|
| 34477 |
"L5": {
|
| 34478 |
+
"far_numeric_pair_count": 6012,
|
| 34479 |
+
"match_probability": 0.8867075712609757,
|
| 34480 |
+
"mismatch_probability": 0.07231156681921541,
|
| 34481 |
+
"near_numeric_pair_count": 4893
|
| 34482 |
}
|
| 34483 |
},
|
| 34484 |
"schema_version": "assay_transfer_empirical_binary_targets.v24.2.level",
|
manifest.json
CHANGED
|
@@ -1,17 +1,17 @@
|
|
| 1 |
{
|
| 2 |
"artifacts": {
|
| 3 |
-
"README.md": "
|
| 4 |
-
"calibration.json": "
|
| 5 |
-
"record_coverage.json": "
|
| 6 |
-
"test_ranking/data.parquet": "
|
| 7 |
-
"train/data.parquet": "
|
| 8 |
-
"validation_ranking/data.parquet": "
|
| 9 |
},
|
| 10 |
"binary_limit": "75/25",
|
| 11 |
-
"binary_target_fit_train_sha256": "
|
| 12 |
"binary_target_group_by": "level",
|
| 13 |
"continuous_limit": "soft",
|
| 14 |
-
"degree_cap":
|
| 15 |
"full_universe_audit": {
|
| 16 |
"test_gate_only": {
|
| 17 |
"parent_id_count": 454,
|
|
@@ -41,18 +41,18 @@
|
|
| 41 |
"/vast/projects/myatskar/design-documents/joseph/starling_assay_transfer/assay_transfer/record_level/oral_v24_2/sampling.py": "9e2b8171246b07aa6c57b6824a48ec240512773d2f1c95054ffdffc5d0ca534f",
|
| 42 |
"/vast/projects/myatskar/design-documents/joseph/starling_assay_transfer/assay_transfer/record_level/oral_v24_2/splits.py": "ac982cb9e20dc35c9ef043d0d421c08a1b470129e80ecf472aa6c19aa5720a3c",
|
| 43 |
"/vast/projects/myatskar/design-documents/joseph/starling_assay_transfer/assay_transfer/record_level/oral_v24_2/verify.py": "6ec4f8913d2861639a77ef1f906219a0fd8258eb35c8b61405b5658cd3137f49",
|
| 44 |
-
"/vast/projects/myatskar/design-documents/joseph/starling_assay_transfer/assay_transfer/record_level/oral_v25.py": "
|
| 45 |
},
|
| 46 |
"independent_test_evaluation": true,
|
| 47 |
"level": "L5",
|
| 48 |
-
"pair_manifest_sha256": "
|
| 49 |
"parent_cap_per_role_within_level": 4096,
|
| 50 |
"parent_cap_scope": "within_level_and_budget_family",
|
| 51 |
"ranking_id_max_references": 50,
|
| 52 |
"release_id": "oral_v25",
|
| 53 |
"rows": {
|
| 54 |
"test_ranking": 22957,
|
| 55 |
-
"train":
|
| 56 |
"validation_ranking": 23836
|
| 57 |
},
|
| 58 |
"selection": {
|
|
|
|
| 1 |
{
|
| 2 |
"artifacts": {
|
| 3 |
+
"README.md": "276c5cc4059114155698a3f5f380227b579df3e8d45685b7e345e05e44714f6a",
|
| 4 |
+
"calibration.json": "ba5f07c876284074163b9ec5a6e974ff8b00efecae4679c6e0cbab7b47d0d8a0",
|
| 5 |
+
"record_coverage.json": "a8cecbe8bfb864424c4d70833547c0f7d38bdc4598a21659e30077dbe978c33f",
|
| 6 |
+
"test_ranking/data.parquet": "f98cd90ac8f861f3d6193be7b2fd7caab47d73bfcb77b233bc76c57b6124ce36",
|
| 7 |
+
"train/data.parquet": "2a0f76c7fb4a13d136371bb0042c0512b6c7ead0ddb30495714e91de67190ff4",
|
| 8 |
+
"validation_ranking/data.parquet": "7092756431eada40aca87965e4d2d7277ba701a080fee11f549aeaaa9b1dcdaa"
|
| 9 |
},
|
| 10 |
"binary_limit": "75/25",
|
| 11 |
+
"binary_target_fit_train_sha256": "5cd935b39acb9b9e5d80f591ec9e398bc47977c4661c39fac082560d99d7ba1c",
|
| 12 |
"binary_target_group_by": "level",
|
| 13 |
"continuous_limit": "soft",
|
| 14 |
+
"degree_cap": 24,
|
| 15 |
"full_universe_audit": {
|
| 16 |
"test_gate_only": {
|
| 17 |
"parent_id_count": 454,
|
|
|
|
| 41 |
"/vast/projects/myatskar/design-documents/joseph/starling_assay_transfer/assay_transfer/record_level/oral_v24_2/sampling.py": "9e2b8171246b07aa6c57b6824a48ec240512773d2f1c95054ffdffc5d0ca534f",
|
| 42 |
"/vast/projects/myatskar/design-documents/joseph/starling_assay_transfer/assay_transfer/record_level/oral_v24_2/splits.py": "ac982cb9e20dc35c9ef043d0d421c08a1b470129e80ecf472aa6c19aa5720a3c",
|
| 43 |
"/vast/projects/myatskar/design-documents/joseph/starling_assay_transfer/assay_transfer/record_level/oral_v24_2/verify.py": "6ec4f8913d2861639a77ef1f906219a0fd8258eb35c8b61405b5658cd3137f49",
|
| 44 |
+
"/vast/projects/myatskar/design-documents/joseph/starling_assay_transfer/assay_transfer/record_level/oral_v25.py": "365184843e25f3430abad12f44e373775d2a2b259572fdfcd63dd0b8433d1017"
|
| 45 |
},
|
| 46 |
"independent_test_evaluation": true,
|
| 47 |
"level": "L5",
|
| 48 |
+
"pair_manifest_sha256": "a593fecebf093e91a8626185ccf9e1599d87337649b27524b75ec3b83eb5672e",
|
| 49 |
"parent_cap_per_role_within_level": 4096,
|
| 50 |
"parent_cap_scope": "within_level_and_budget_family",
|
| 51 |
"ranking_id_max_references": 50,
|
| 52 |
"release_id": "oral_v25",
|
| 53 |
"rows": {
|
| 54 |
"test_ranking": 22957,
|
| 55 |
+
"train": 29954,
|
| 56 |
"validation_ranking": 23836
|
| 57 |
},
|
| 58 |
"selection": {
|
record_coverage.json
CHANGED
|
@@ -1,26 +1,26 @@
|
|
| 1 |
{
|
| 2 |
"query": {
|
| 3 |
-
"maximum":
|
| 4 |
-
"median":
|
| 5 |
"minimum": 0,
|
| 6 |
"p10": 0.0,
|
| 7 |
"records": 3386,
|
| 8 |
-
"zero":
|
| 9 |
},
|
| 10 |
"reference": {
|
| 11 |
-
"maximum":
|
| 12 |
-
"median":
|
| 13 |
"minimum": 0,
|
| 14 |
-
"p10":
|
| 15 |
"records": 3386,
|
| 16 |
-
"zero":
|
| 17 |
},
|
| 18 |
"total": {
|
| 19 |
-
"maximum":
|
| 20 |
-
"median":
|
| 21 |
"minimum": 0,
|
| 22 |
-
"p10":
|
| 23 |
"records": 3386,
|
| 24 |
-
"zero":
|
| 25 |
}
|
| 26 |
}
|
|
|
|
| 1 |
{
|
| 2 |
"query": {
|
| 3 |
+
"maximum": 24,
|
| 4 |
+
"median": 7.0,
|
| 5 |
"minimum": 0,
|
| 6 |
"p10": 0.0,
|
| 7 |
"records": 3386,
|
| 8 |
+
"zero": 837
|
| 9 |
},
|
| 10 |
"reference": {
|
| 11 |
+
"maximum": 24,
|
| 12 |
+
"median": 5.0,
|
| 13 |
"minimum": 0,
|
| 14 |
+
"p10": 2.0,
|
| 15 |
"records": 3386,
|
| 16 |
+
"zero": 12
|
| 17 |
},
|
| 18 |
"total": {
|
| 19 |
+
"maximum": 48,
|
| 20 |
+
"median": 13.0,
|
| 21 |
"minimum": 0,
|
| 22 |
+
"p10": 4.0,
|
| 23 |
"records": 3386,
|
| 24 |
+
"zero": 9
|
| 25 |
}
|
| 26 |
}
|
test_ranking/data.parquet
CHANGED
|
@@ -1,3 +1,3 @@
|
|
| 1 |
version https://git-lfs.github.com/spec/v1
|
| 2 |
-
oid sha256:
|
| 3 |
-
size
|
|
|
|
| 1 |
version https://git-lfs.github.com/spec/v1
|
| 2 |
+
oid sha256:f98cd90ac8f861f3d6193be7b2fd7caab47d73bfcb77b233bc76c57b6124ce36
|
| 3 |
+
size 8776372
|
train/data.parquet
CHANGED
|
@@ -1,3 +1,3 @@
|
|
| 1 |
version https://git-lfs.github.com/spec/v1
|
| 2 |
-
oid sha256:
|
| 3 |
-
size
|
|
|
|
| 1 |
version https://git-lfs.github.com/spec/v1
|
| 2 |
+
oid sha256:2a0f76c7fb4a13d136371bb0042c0512b6c7ead0ddb30495714e91de67190ff4
|
| 3 |
+
size 11503768
|
validation_ranking/data.parquet
CHANGED
|
@@ -1,3 +1,3 @@
|
|
| 1 |
version https://git-lfs.github.com/spec/v1
|
| 2 |
-
oid sha256:
|
| 3 |
-
size
|
|
|
|
| 1 |
version https://git-lfs.github.com/spec/v1
|
| 2 |
+
oid sha256:7092756431eada40aca87965e4d2d7277ba701a080fee11f549aeaaa9b1dcdaa
|
| 3 |
+
size 8972469
|