Upload AtomPack dataset shards

.gitattributes

@@ -59,3 +59,5 @@ saved_model/**/* filter=lfs diff=lfs merge=lfs -text
 *.mp4 filter=lfs diff=lfs merge=lfs -text
 *.webm filter=lfs diff=lfs merge=lfs -text
 matpes/r2scan/data.atp filter=lfs diff=lfs merge=lfs -text
+mp_aloe/data.atp filter=lfs diff=lfs merge=lfs -text
+omat/val/data.atp filter=lfs diff=lfs merge=lfs -text

_conversion_summary.json

@@ -0,0 +1,27 @@
+{
+  "generated_at_utc": "2026-02-13T00:25:21.690642+00:00",
+  "ok": 0,
+  "skipped": 2,
+  "planned": 0,
+  "failed": 0,
+  "results": [
+    {
+      "spec": "mptrj:default",
+      "status": "skipped",
+      "message": "output already exists (use --overwrite)",
+      "output_dir": "/ogre/atompack-v2/mptrj",
+      "n_samples": 0,
+      "n_files": 0,
+      "elapsed_s": 0.0
+    },
+    {
+      "spec": "matpes:pbe",
+      "status": "skipped",
+      "message": "output already exists (use --overwrite)",
+      "output_dir": "/ogre/atompack-v2/matpes/pbe",
+      "n_samples": 0,
+      "n_files": 0,
+      "elapsed_s": 0.0
+    }
+  ]
+}

matpes/pbe/manifest.json

@@ -0,0 +1,17 @@
+{
+  "created_at_utc": "2026-02-12T11:18:05.461875+00:00",
+  "dataset": "matpes",
+  "variant": "pbe",
+  "spec": "matpes:pbe",
+  "n_samples": 434712,
+  "max_samples_per_file": 10000000,
+  "n_files": 1,
+  "num_workers": 10,
+  "batch_size": 4096,
+  "compression": "zstd",
+  "compression_level": 3,
+  "output_files": [
+    "data.atp"
+  ],
+  "elapsed_seconds": 117.30277419090271
+}

mp_aloe/manifest.json

@@ -0,0 +1,17 @@
+{
+  "created_at_utc": "2026-02-12T11:23:46.876058+00:00",
+  "dataset": "mp_aloe",
+  "variant": "default",
+  "spec": "mp_aloe",
+  "n_samples": 909792,
+  "max_samples_per_file": 10000000,
+  "n_files": 1,
+  "num_workers": 10,
+  "batch_size": 4096,
+  "compression": "zstd",
+  "compression_level": 3,
+  "output_files": [
+    "data.atp"
+  ],
+  "elapsed_seconds": 238.43392825126648
+}

mptrj/manifest.json

@@ -0,0 +1,17 @@
+{
+  "created_at_utc": "2026-02-12T11:16:07.971307+00:00",
+  "dataset": "mptrj",
+  "variant": "default",
+  "spec": "mptrj",
+  "n_samples": 1580395,
+  "max_samples_per_file": 10000000,
+  "n_files": 1,
+  "num_workers": 10,
+  "batch_size": 4096,
+  "compression": "zstd",
+  "compression_level": 3,
+  "output_files": [
+    "data.atp"
+  ],
+  "elapsed_seconds": 591.7876796722412
+}

omat/val/manifest.json

@@ -0,0 +1,17 @@
+{
+  "created_at_utc": "2026-02-12T11:06:15.526536+00:00",
+  "dataset": "omat",
+  "variant": "val",
+  "spec": "omat:val",
+  "n_samples": 1025361,
+  "max_samples_per_file": 10000000,
+  "n_files": 1,
+  "num_workers": 10,
+  "batch_size": 4096,
+  "compression": "zstd",
+  "compression_level": 3,
+  "output_files": [
+    "data.atp"
+  ],
+  "elapsed_seconds": 304.2049083709717
+}