Upload pocket data

.gitattributes

@@ -70,3 +70,5 @@ ligands/shard_4.lmdb filter=lfs diff=lfs merge=lfs -text
 ligands/shard_5.lmdb filter=lfs diff=lfs merge=lfs -text
 crossdock/crossdocked_v1.0_rmsd_1_to_2_all_heavy_pocket_train.lmdb filter=lfs diff=lfs merge=lfs -text
 crossdock/crossdocked_v1.0_rmsd_1_to_2_all_heavy_pocket_valid_3000.lmdb filter=lfs diff=lfs merge=lfs -text
+pockets_center_frame_cartesian/train.lmdb filter=lfs diff=lfs merge=lfs -text
+pockets_center_frame_cartesian/valid.lmdb filter=lfs diff=lfs merge=lfs -text

pockets_center_frame_cartesian/train.lmdb

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pockets_center_frame_cartesian/train.lmdb.keys.pkl

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pockets_center_frame_cartesian/train.lmdb.meta.json

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+{
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+  "errors": 0,
+  "frame_rule": "heavy atoms only for frame selection; center=mean of heavy atom coordinates; origin=nearest heavy atom to center; axis/plane=nearest ranked heavy atoms forming a non-collinear frame; x=normalize(r2-r1), y=normalize((r3-r1) cross x), z=x cross y; all atom coordinates are transformed",
+  "source": "/home/s/shai/scratch/mol_data/data/pockets/train.lmdb",
+  "special_entries": 0
+}

pockets_center_frame_cartesian/valid.lmdb

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pockets_center_frame_cartesian/valid.lmdb.keys.pkl

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+size 1369095

pockets_center_frame_cartesian/valid.lmdb.meta.json

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+{
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+  "dropped_collinear": 0,
+  "errors": 0,
+  "frame_rule": "heavy atoms only for frame selection; center=mean of heavy atom coordinates; origin=nearest heavy atom to center; axis/plane=nearest ranked heavy atoms forming a non-collinear frame; x=normalize(r2-r1), y=normalize((r3-r1) cross x), z=x cross y; all atom coordinates are transformed",
+  "source": "/home/s/shai/scratch/mol_data/data/pockets/valid.lmdb",
+  "special_entries": 0
+}