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timodonnell
/

helico-contact-eval-v1

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train

The full dataset viewer is not available (click to read why). Only showing a preview of the rows.

The dataset generation failed

Error code:   DatasetGenerationError
Exception:    CastError
Message:      Couldn't cast
datasets: list<item: struct<manifest: struct<contact_definition: struct<comparison: string, diagonal_supervise (... 1772 chars omitted)
  child 0, item: struct<manifest: struct<contact_definition: struct<comparison: string, diagonal_supervised: bool, di (... 1760 chars omitted)
      child 0, manifest: struct<contact_definition: struct<comparison: string, diagonal_supervised: bool, distance: string, e (... 1574 chars omitted)
          child 0, contact_definition: struct<comparison: string, diagonal_supervised: bool, distance: string, exclude_elements: list<item: (... 180 chars omitted)
              child 0, comparison: string
              child 1, diagonal_supervised: bool
              child 2, distance: string
              child 3, exclude_elements: list<item: string>
                  child 0, item: string
              child 4, states: struct<contact: int64, masked: int64, no_contact: int64>
                  child 0, contact: int64
                  child 1, masked: int64
                  child 2, no_contact: int64
              child 5, storage: string
              child 6, symmetric: bool
              child 7, threshold_angstrom: double
              child 8, unknown_geometry: string
              child 9, version: string
          child 1, files: list<item: struct<path: string, sha256: string, size: int64>>
              child 0, item: struct<path: string, sha256: string, size: int64>
                  child 0, path: string
                  child 1, sha256: st
...
4
                  child 3, pdb_ids: string
                  child 4, role: string
                  child 5, sampling_records: int64
              child 1, validation: struct<bioassembly_dir: string, index: string, pdb_entries: int64, pdb_ids: string, role: string, sa (... 22 chars omitted)
                  child 0, bioassembly_dir: string
                  child 1, index: string
                  child 2, pdb_entries: int64
                  child 3, pdb_ids: string
                  child 4, role: string
                  child 5, sampling_records: int64
              child 2, validation_pool: struct<bioassembly_dir: string, index: string, pdb_entries: int64, pdb_ids: string, role: string, sa (... 22 chars omitted)
                  child 0, bioassembly_dir: string
                  child 1, index: string
                  child 2, pdb_entries: int64
                  child 3, pdb_ids: string
                  child 4, role: string
                  child 5, sampling_records: int64
      child 1, manifest_path: string
      child 2, manifest_sha256: string
      child 3, manifest_size: int64
      child 4, repo_id: string
      child 5, revision: string
      child 6, train_split: string
      child 7, validation_split: string
      child 8, weight: double
lock_sha256: string
name: string
schema_version: int64
sha256: string
tokens: int64
pdb_id: string
eval_types: list<item: string>
  child 0, item: string
raw_msa_rows: int64
atoms: int64
status: string
msa_rows: int64
to
{'pdb_id': Value('string'), 'status': Value('string'), 'tokens': Value('int64'), 'atoms': Value('int64'), 'msa_rows': Value('int64'), 'raw_msa_rows': Value('int64'), 'eval_types': List(Value('string')), 'sha256': Value('string')}
because column names don't match
Traceback:    Traceback (most recent call last):
                File "/usr/local/lib/python3.14/site-packages/datasets/builder.py", line 1827, in _prepare_split_single
                  for key, table in generator:
                                    ^^^^^^^^^
                File "/src/services/worker/src/worker/job_runners/config/parquet_and_info.py", line 613, in wrapped
                  for item in generator(*args, **kwargs):
                              ~~~~~~~~~^^^^^^^^^^^^^^^^^
                File "/usr/local/lib/python3.14/site-packages/datasets/packaged_modules/json/json.py", line 343, in _generate_tables
                  self._cast_table(pa_table, json_field_paths=json_field_paths),
                  ~~~~~~~~~~~~~~~~^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
                File "/usr/local/lib/python3.14/site-packages/datasets/packaged_modules/json/json.py", line 132, in _cast_table
                  pa_table = table_cast(pa_table, self.info.features.arrow_schema)
                File "/usr/local/lib/python3.14/site-packages/datasets/table.py", line 2378, in table_cast
                  return cast_table_to_schema(table, schema)
                File "/usr/local/lib/python3.14/site-packages/datasets/table.py", line 2306, in cast_table_to_schema
                  raise CastError(
                  ...<3 lines>...
                  )
              datasets.table.CastError: Couldn't cast
              datasets: list<item: struct<manifest: struct<contact_definition: struct<comparison: string, diagonal_supervise (... 1772 chars omitted)
                child 0, item: struct<manifest: struct<contact_definition: struct<comparison: string, diagonal_supervised: bool, di (... 1760 chars omitted)
                    child 0, manifest: struct<contact_definition: struct<comparison: string, diagonal_supervised: bool, distance: string, e (... 1574 chars omitted)
                        child 0, contact_definition: struct<comparison: string, diagonal_supervised: bool, distance: string, exclude_elements: list<item: (... 180 chars omitted)
                            child 0, comparison: string
                            child 1, diagonal_supervised: bool
                            child 2, distance: string
                            child 3, exclude_elements: list<item: string>
                                child 0, item: string
                            child 4, states: struct<contact: int64, masked: int64, no_contact: int64>
                                child 0, contact: int64
                                child 1, masked: int64
                                child 2, no_contact: int64
                            child 5, storage: string
                            child 6, symmetric: bool
                            child 7, threshold_angstrom: double
                            child 8, unknown_geometry: string
                            child 9, version: string
                        child 1, files: list<item: struct<path: string, sha256: string, size: int64>>
                            child 0, item: struct<path: string, sha256: string, size: int64>
                                child 0, path: string
                                child 1, sha256: st
              ...
              4
                                child 3, pdb_ids: string
                                child 4, role: string
                                child 5, sampling_records: int64
                            child 1, validation: struct<bioassembly_dir: string, index: string, pdb_entries: int64, pdb_ids: string, role: string, sa (... 22 chars omitted)
                                child 0, bioassembly_dir: string
                                child 1, index: string
                                child 2, pdb_entries: int64
                                child 3, pdb_ids: string
                                child 4, role: string
                                child 5, sampling_records: int64
                            child 2, validation_pool: struct<bioassembly_dir: string, index: string, pdb_entries: int64, pdb_ids: string, role: string, sa (... 22 chars omitted)
                                child 0, bioassembly_dir: string
                                child 1, index: string
                                child 2, pdb_entries: int64
                                child 3, pdb_ids: string
                                child 4, role: string
                                child 5, sampling_records: int64
                    child 1, manifest_path: string
                    child 2, manifest_sha256: string
                    child 3, manifest_size: int64
                    child 4, repo_id: string
                    child 5, revision: string
                    child 6, train_split: string
                    child 7, validation_split: string
                    child 8, weight: double
              lock_sha256: string
              name: string
              schema_version: int64
              sha256: string
              tokens: int64
              pdb_id: string
              eval_types: list<item: string>
                child 0, item: string
              raw_msa_rows: int64
              atoms: int64
              status: string
              msa_rows: int64
              to
              {'pdb_id': Value('string'), 'status': Value('string'), 'tokens': Value('int64'), 'atoms': Value('int64'), 'msa_rows': Value('int64'), 'raw_msa_rows': Value('int64'), 'eval_types': List(Value('string')), 'sha256': Value('string')}
              because column names don't match
              
              The above exception was the direct cause of the following exception:
              
              Traceback (most recent call last):
                File "/src/services/worker/src/worker/job_runners/config/parquet_and_info.py", line 1369, in compute_config_parquet_and_info_response
                  parquet_operations, partial, estimated_dataset_info = stream_convert_to_parquet(
                                                                        ~~~~~~~~~~~~~~~~~~~~~~~~~^
                      builder, max_dataset_size_bytes=max_dataset_size_bytes
                      ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
                  )
                  ^
                File "/src/services/worker/src/worker/job_runners/config/parquet_and_info.py", line 948, in stream_convert_to_parquet
                  builder._prepare_split(split_generator=splits_generators[split], file_format="parquet")
                  ~~~~~~~~~~~~~~~~~~~~~~^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
                File "/usr/local/lib/python3.14/site-packages/datasets/builder.py", line 1694, in _prepare_split
                  for job_id, done, content in self._prepare_split_single(
                                               ~~~~~~~~~~~~~~~~~~~~~~~~~~^
                      gen_kwargs=gen_kwargs, job_id=job_id, **_prepare_split_args
                      ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
                  ):
                  ^
                File "/usr/local/lib/python3.14/site-packages/datasets/builder.py", line 1879, in _prepare_split_single
                  raise DatasetGenerationError("An error occurred while generating the dataset") from e
              datasets.exceptions.DatasetGenerationError: An error occurred while generating the dataset

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pdb_id string	status string	tokens int64	atoms int64	msa_rows int64	raw_msa_rows int64	eval_types list	sha256 string
6st5	ready	1,012	7,806	512	4,303	[ "intra_prot", "ions_prot", "ligand_prot" ]	3b36beb3ca12998d66788e22860a6b93737ee8331903a8e5451aee10433c5e5e
6zsu	ready	326	2,432	75	75	[ "intra_prot" ]	1b251d364094a9f4a0c4f81fff99911707f76d0b4ce99876815a038aac5ad722
7b57	ready	418	3,108	512	13,482	[ "prot_prot" ]	a6fc1fb6fdbe5ebaeb19eff993b8158d95bc30f6da1d07756e84ac3010cf8685
7bb9	ready	414	3,331	512	1,750	[ "intra_prot", "ions_prot" ]	51c9439bef47226c9058c9c8540eddb79b73b8ebcd10537961af3d09f606ee5e
7bih	ready	932	7,130	512	3,493	[ "intra_prot", "ions_prot", "prot_prot" ]	003ca4450283186c57d80c6b86c6e5afdb3e2b6c35a0a42cbd936c39dc0b0941
7djj	ready	668	5,159	512	14,606	[ "intra_prot", "ions_prot" ]	65bfb2c5d374215315fb3ecb1eb0b7018569b08d67316c8019ddbae43443403b
7djm	ready	507	3,819	512	9,479	[ "intra_prot", "ions_prot", "ligand_prot" ]	704155f3be863bc75a7b07f924e0ad20e57140d2a0c782e0f360147b7dfb2444
7euu	ready	383	2,769	512	6,653	[ "intra_prot", "ions_prot", "ligand_prot" ]	850f976e462add138e47864c37b352042978211e4404e2862c6a521d9ebd62db
7ewf	ready	801	6,590	512	2,847	[ "intra_prot", "prot_prot" ]	699d8a715f1feef3fcbfa9f3c646a7d629728c96c18245a80c66e703b22fc837
7exg	ready	761	5,861	512	3,587	[ "glycans_prot", "intra_prot" ]	291b466d4efbb49f69c3a75d31032bf5a1dff5f3941a2e024922352ff3f16b9a
7exo	ready	223	1,621	512	7,045	[ "glycans_prot", "intra_prot", "ions_prot" ]	aebe95066786af73f732453287c8b9e648e8670241a444db8a1cea5be64abda6
7f4p	ready	416	3,195	512	8,844	[ "intra_prot", "ligand_prot", "prot_prot" ]	1aa3f87c37e6bf4ad052711692b6c985f13ede68a1535b014231582871086c3f
7f4q	ready	415	3,194	512	8,844	[ "intra_prot", "ligand_prot", "prot_prot" ]	c590275c74e78db070d689179e115629b4483c9f959676a9acd532d411043f55
7f7p	ready	192	1,562	5	5	[ "intra_prot", "prot_prot" ]	4ce1b6c00e32c2f2a4613d89d4e98aec884f1bd9201a25766ba19df6851ad411
7f9j	ready	282	2,082	48	48	[ "intra_prot", "ions_prot", "prot_prot" ]	63f02af2b441b1c41e503003c880636dce9eedd869f92b0216a90b9fd2b53dae
7fax	ready	129	1,004	292	292	[ "intra_prot", "prot_prot" ]	a0dbff168c71c5ebbe9d660e17833ff0a1774eaf86504e53015550065bcef37e
7fbj	ready	371	2,793	512	4,642	[ "prot_prot" ]	19efd0d64e67cf56445215f2ed9aae5493ddd836b01091be677a0a510d962d89
7fbk	ready	397	2,859	512	4,835	[ "prot_prot" ]	0fb85ad77a1492936f61bb83e8884e7baacf3cfa854b837b84530d9ee2a91104
7fcj	ready	155	1,295	512	2,417	[ "intra_prot" ]	3e0d94e0699914746c08a5e2dd4f132ea7130c2980866ac974685c4ed9959641
7fcl	ready	310	2,590	512	2,594	[ "intra_prot", "prot_prot" ]	99fa2d25f20d8476c0cdb1dc00da2f4985a4a72ef2815aa8df0616452829d888
7fdp	ready	419	3,263	121	121	[ "intra_prot" ]	516655406fbf3db03d9de3ef4d81282eeaf5dddc514d99818eb8e68078d96998
7fga	ready	818	5,794	512	15,291	[ "intra_prot", "ligand_prot", "prot_prot" ]	d5e9f664b7d0108523471355d5945dee6f8d0e5f649a19cdebb4669e3a3ed877
7fgm	ready	491	3,652	512	16,384	[ "prot_prot" ]	8e3556bf4937a2d64d2e5a871baca7691fe95ee0e0b32fa11df59d05f660f6b2
7fgp	ready	886	6,018	512	5,017	[ "intra_prot", "ligand_prot", "prot_prot" ]	0fbffcfcc0fad7bc91fe726df80bc671c8f9131cd445fe8a9bc2f7c60b856953
7fh5	ready	332	2,522	512	608	[ "intra_prot", "ions_prot" ]	1317cb1fb9336596cb07ea0bf392bb55fda759b4d6ca4454539b91fb814ebdb8
7mkt	ready	72	546	2	2	[ "intra_rna", "ions_nuc", "ligand_nuc" ]	382acc038827e893fb216a5c039dab874336a70b9bee7af93ee38cb80d99a908
7mnj	ready	529	4,234	512	665	[ "intra_prot" ]	773b002bb1a013382e1ebd9463aff86d5c6ed8d60419aec3aeca69186d4bf41e
7mnk	ready	120	980	161	161	[ "intra_prot", "prot_prot" ]	0fd7a91182864642d58f617c0d7c781411df95ec4955303bda98b1f89f3c0ccf
7mo0	ready	384	2,817	512	10,736	[ "prot_prot" ]	d2adbda6ebb99f1cddfa1c3a378168a93cf267fc96f6e542c5586461d1625181
7mw8	ready	431	3,289	512	10,751	[ "rna_prot" ]	358584507ea306dd9690f54fd101e3049754baa89bbb9aa428b207170ef405db
7n5v	ready	177	1,820	512	15,397	[ "dna_prot", "intra_dna", "nuc_nuc" ]	e40918b71460d08a67adb9386a04104be577391527efbf728128cb4f2a5e7065
7n8v	ready	528	4,204	512	7,053	[ "intra_prot", "prot_prot" ]	0d04f1b53802df150a30da80427bf80d2a2ee0c69ef0c2b7b0587f05dd897b2c
7nqe	ready	255	1,885	512	6,069	[ "intra_prot", "ions_prot", "ligand_prot" ]	f3c29657bba53f662882f167677a01636fe0f667c66b14f36104c3f39b408258
7o6u	ready	140	1,144	512	653	[ "intra_prot", "prot_prot" ]	b7bef92d7c44ef97091efcac5c1cb1ba0c8abb2008274db84eaaef2592ad6bfd
7oat	ready	964	7,104	512	16,384	[ "prot_prot" ]	9548b890b068d8f4b498089ce70d53abe16dc2107f63cb39bd0dfdf83a2b645f
7oc3	ready	424	3,348	226	226	[ "intra_prot", "prot_prot" ]	da459d9c4f96cf2c6d130eaa14dc73380025ff44643e80a4161d5351974071b1
7okr	ready	396	3,097	512	4,944	[ "intra_prot", "ions_prot" ]	16b0221046c7f56f4e6641eb8ae1099d0a70cba7bdd0fe82750465b06f15a717
7ooo	ready	62	426	2	2	[ "intra_dna", "ions_nuc", "nuc_nuc" ]	8f6ca9a612078508d02d6d81d83c81eb69929e035f382e2262d41c763b55150a
7oot	ready	322	3,130	512	3,225	[ "dna_prot", "intra_dna", "nuc_nuc" ]	d0d13b219d4a1ad48d25392ab61c4e6d332bebcfdb682f730ef9034799e094d0
7ouv	ready	410	3,028	512	7,481	[ "intra_prot", "prot_prot" ]	b31599b5adaf8a1a6d6db8deae7dc2c10cad5dabbf4751fe4bf75599ee2d8aa9
7ovu	ready	269	1,772	512	3,565	[ "intra_prot", "ligand_prot" ]	09f296818410ac7492a54c5244cbd6ecfa0b46848b4756800bdd14865c7a4105
7ovv	ready	592	3,424	512	12,882	[ "intra_prot", "ligand_prot", "prot_prot" ]	58a90497c4e22eb7b7aff1408b639fdf3e6a830e6879a5c797c64b5ca9c82461
7owf	ready	625	4,907	512	16,384	[ "dna_prot", "intra_dna", "ligand_nuc", "nuc_nuc" ]	c71813dc40a3a6f65cc65919eaaf6173952ae7b12ef2729ec4c9ef993bae120b
7owk	ready	681	4,908	512	3,761	[ "intra_prot", "ligand_prot", "prot_prot" ]	c9c163b213c84b8f80ddd7baaa8ff9350774827f1bcb21dcc189b63e8e074699
7owl	ready	681	4,908	512	3,761	[ "intra_prot", "ligand_prot", "prot_prot" ]	fe9babeb6381e915d825dc2d8111fac17ddbcae476f9d984fc0be3e7bfd5485f
7oy7	ready	270	2,336	437	437	[ "dna_prot", "intra_dna", "intra_nuc", "nuc_nuc", "nuc_prot" ]	e9ee0c2378b9af8161fe857908d56c4391df4a1041323035448ab339e7deedcd
7oz8	ready	521	4,070	512	11,791	[ "glycans_prot", "intra_prot" ]	b4d50335442468dea516359e4b7dc13995d63d74479382160e7f3587fa2cef9c
7ozz	ready	60	424	2	2	[ "intra_dna", "nuc_nuc" ]	b233c532e1d6e5b4b5d6177274ae1673c642d5bac3af267001b7619ad10e2012
7p0j	ready	215	1,610	512	650	[ "excluded_ligand_prot", "intra_prot", "ions_prot" ]	b81c29ed77c98d07b6b94a645190e89a6d00040ae707c46e3d4900b39536caa8
7p1y	ready	467	3,731	512	722	[ "intra_prot", "ions_prot", "prot_prot" ]	ac05a8bf26bdc94b70de68e4007dd4dc4bd25365d5d5d5c6464d7de1171ee015
7p9j	ready	323	2,108	512	6,304	[ "dna_prot", "intra_dna", "intra_prot", "ions_prot", "ligand_nuc", "ligand_prot" ]	27f5857893d8d154878f00f229bfbd7c3636420b6e204e8586d500a5858d4b33
7p9p	ready	932	6,562	512	11,834	[ "glycans_prot", "intra_prot", "ions_prot", "ligand_prot", "prot_prot" ]	bbd8472b15f3e08039d7f9faf1650e9b5b8b24a2f194de4f1f724b3bb313f15e
7p9y	ready	872	6,502	512	11,834	[ "glycans_prot", "intra_prot", "ions_prot", "prot_prot" ]	c426ba6f8806f5bdf90ce28ef9abd07656f0354c4f88a00b500eedb4165c7107
7p9z	ready	270	2,338	437	437	[ "dna_prot", "intra_dna", "intra_nuc", "nuc_nuc", "nuc_prot" ]	e44fb24be5d137ec52e8f37ba3a7f64df9ce29b45cd4646e7921572817e68846
7pa5	ready	490	3,817	512	12,007	[ "antibody", "antibody_antigen" ]	58cc3833a3e876761f19fdeb06fa1754cb704b4a6666395bdcfe092b9f6e05d8
7pb9	ready	179	1,559	363	363	[ "intra_prot" ]	e98cbc100accae116ff8a7000cc9d0200327ebc6ab4b3f627ccecf8608e34039
7pcc	ready	798	5,484	512	10,908	[ "intra_prot", "ions_prot", "ligand_prot", "prot_prot" ]	79f6c63c115c21d7615df148594cfe99172013d52c75ccc1b441ed23a2ed6b69
7pct	ready	826	5,564	512	10,651	[ "intra_prot", "ions_prot", "ligand_prot", "prot_prot" ]	025baabf20eff459247098f9038696613dfc961538309cd861c055540ebb073d
7peg	ready	167	1,315	512	2,471	[ "intra_prot" ]	84d257796bffa1e380e27f36e301594387110239b76f2e0299e96f1927c79665
7pge	ready	255	1,768	512	5,324	[ "excluded_ligand_prot", "intra_prot" ]	3649e3550e70399fb59672694f7940e12f0f1419a3843560c7160a76fb87e46b
7pjo	ready	474	3,842	512	4,915	[ "intra_prot", "prot_prot" ]	47f188a4f6e1e0ae5c07f79534df677228e5c2a0782179c9ef2708c74c49ab9e
7pk4	ready	338	2,590	512	16,384	[ "prot_prot" ]	de9cfebcddce7d55bb178297e0b0b3577105e2bc5f6f931ef0f73a9947a5b132
7pl7	ready	165	1,362	512	3,570	[ "intra_prot" ]	4d3dacf3dae4ef0dc0c65db4502861d0bff855f53205264e75bfa14372704398
7poi	ready	844	6,490	512	5,858	[ "glycans_prot", "intra_prot", "prot_prot" ]	5ec63205b96a70258abdfb600c7bc9971aafcfcd86fbb3dc1df191c5f884622e
7pp2	ready	658	5,109	512	3,563	[ "intra_prot", "ions_prot", "prot_prot" ]	37ab2d9699f53a36d28f4145a7fb17681a7276dca020176eff69a7979502261e
7ppa	ready	466	3,656	512	5,832	[ "prot_prot" ]	bbe1113e42309d46f4e51d7e207aa698923987464a71e41b3bf3dae11ee5acd8
7ppb	ready	466	3,656	512	5,832	[ "prot_prot" ]	8cf3df9e95bee41b8bba4a06325c1362e93ef8cf0ffba658f81c6c442d5a7f4b
7ppc	ready	658	5,138	512	5,934	[ "prot_prot" ]	46e050714f975f55320a161cd554884e63350688970aa068e236e70cdb586548
7ppn	ready	323	2,442	512	12,394	[ "intra_prot", "prot_prot" ]	c55e575dfb9e2d4c78bdd44663715144ab97cd2dbf37f2b8c8918ac11a83e0b6
7prq	ready	721	5,421	512	2,076	[ "intra_prot", "ligand_prot", "prot_prot" ]	00f8b4d0762b8e052b3353cf1a74d4ec194b5401f1000bc7eef18809edc2ce6b
7psx	ready	118	1,265	512	9,277	[ "dna_prot", "intra_dna", "ions_nuc", "nuc_nuc" ]	bc8ca5f0f73aea12dcabc392ca0da7b9f4106eb625c597e7342fbc6848b5c1c1
7ptq	ready	544	11,588	2	2	[ "intra_rna" ]	7c891c0ae52bc3faf816678c0bcce38e9e5761b32659322916456a2583a3f066
7pz2	ready	120	901	512	6,824	[ "intra_prot", "ions_prot" ]	d3d4f9d5f87320630ce6cc9921ec6a74e1204d81d8eb99159970db6caf9db13a
7pze	ready	379	2,836	512	530	[ "intra_prot" ]	2690c61135412a9bdaa199cded3f477a018b13d18be34a43486e38840de90fa8
7q2t	ready	165	1,316	453	453	[ "intra_prot", "ions_prot" ]	479e33a550419387e7d55bfee9a735c21a22ca068ef66472ed6b329b7abbccef
7q3o	ready	121	1,317	512	12,535	[ "dna_prot", "intra_dna", "nuc_nuc" ]	34b072b3eb00f79ad25fe261cbd7c7eda84a30de00ce4a4d6d75a8cdb1a318e9
7q67	ready	440	3,113	512	1,682	[ "intra_prot", "prot_prot" ]	da71f61c5cda36696d304a2adeca2385bf70eaeea906071083b631f78c8acd37
7q6g	ready	424	3,000	512	10,364	[ "intra_prot", "ions_prot", "ligand_prot" ]	dea5eb354618a99cd0df1825d4a06f71b367f712fbdfd8c8ddd77c582594bfdc
7q6i	ready	465	3,295	512	9,918	[ "intra_prot", "ions_prot", "ligand_prot", "prot_prot" ]	595890692cf989ddee766eaf60ed97ca7af3a6d7089f4a6c4385a8e220b5fb85
7q92	ready	707	5,449	512	5,717	[ "intra_prot", "ions_prot", "ligand_prot", "prot_prot" ]	3a2226c26db51a1c98c5c533b760343117537eb631d88657d2da6bd02e674c0c
7q93	ready	672	5,414	512	5,717	[ "intra_prot", "prot_prot" ]	c509f2142a4eaaf1d46220a606cff2c75f0ccbbfc0234e1dc0d4442e96db23af
7qa3	ready	362	2,650	512	1,093	[ "intra_prot", "ligand_prot" ]	65977921be6ec4cdca043d06ae1b13c8158b70229b8e770b25b0413920065996
7qau	ready	236	1,993	117	117	[ "intra_prot" ]	0b83cf2c09fa7f6ae7554841d5207ba224184c3886067f2683d088e6828504c0
7qax	ready	230	1,933	114	114	[ "intra_prot" ]	9e4d0386ba6007a4d788c4502e2f3a95470e293b6e28ec17e681ed4a9b5b7485
7qe2	ready	791	5,798	512	8,253	[ "glycans_prot", "intra_prot", "ions_prot" ]	a99232fbf4b0e4edd4c7ea2cfdaf31bbcf3b70b3a370f770c0d033132a625f12
7qef	ready	803	5,807	512	8,506	[ "glycans_prot", "intra_prot", "ions_prot" ]	74d97a85b699911cb803a2703ca101791eb96782038eddf056ac547b6f14a1f4
7qeh	ready	144	1,128	512	2,014	[ "intra_prot" ]	f6905ca3dc7dc3e22e3f39a37b04b88f40dd5966d5fbbef9819784b06b096dbc
7qek	ready	527	3,927	217	217	[ "intra_prot", "ions_prot", "ligand_prot", "prot_prot" ]	9de1d49e7a4de43c1653a606c61c35914b18f592c4ef029a4aac4afb0db26519
7qfk	ready	382	2,864	512	806	[ "intra_prot", "ions_prot", "prot_prot" ]	2799683fe0905476354d27bdff377ebf6b93684e89c85835b52085bd127f08a7
7qg4	ready	773	5,780	512	8,431	[ "intra_prot", "ions_prot" ]	1afd9b523a5a0e78b18293f092e2377d53b28f04a899d47499b4fda90155b03e
7qh3	ready	154	1,155	512	3,296	[ "intra_prot" ]	a450c40507107ee7ba30af3815b8fca2a590c1d7ff2e449fb0bfbefc0c0131fd
7qjn	ready	291	2,346	512	3,164	[ "intra_prot" ]	821f556d95c88ffa3f7388803e14013fb85b3ea6bb64695d585a7ed581907164
7qnp	ready	375	2,785	512	6,099	[ "prot_prot" ]	e6afbfd9d296cf4a5b35c49becab4a2884147fadf52f8e2276ed81af4030d0db
7qoe	ready	410	3,292	512	12,697	[ "intra_prot", "ions_prot", "prot_prot" ]	b6a5a20a20a3fa39d014d206c93fce506d232ff9fbf2d9b1fbdb05a94704dce7
7qpc	ready	904	6,000	512	2,663	[ "intra_prot", "ligand_prot", "prot_prot" ]	ba00ca4d11e5adc95489f525df85a9f77489f28c6fdc742aef9e4ce8206f68c8
7qv6	ready	306	2,286	3	3	[ "intra_prot", "prot_prot" ]	4bb36312dd2e5d43f97d626ccdef8981656b0ecb4290b5fb554820b72c92a7ec
7r0o	ready	361	3,025	512	8,185	[ "intra_prot", "ions_prot" ]	b239ba69a4034b75734e3e1899da674b196cb258f02778c3ccef0486627392ef
7r1c	ready	440	3,380	512	9,902	[ "intra_prot", "prot_prot" ]	a6f9bc3e63fa3f2eaffa941e43035ea5e6b412e13ea78df00b21d01016f39bdc
7r2e	ready	425	3,443	512	8,516	[ "prot_prot" ]	09fe01a1825bd80244fbd1d913b4ab913f84b04ba137b8dd6f11f58bad2b5ede
7r3w	ready	320	2,605	512	14,465	[ "intra_prot" ]	d4dea5fc62bf6f7c5ca4d2bb153013f3da3de185b8944ab09e3c02e68c9afff1

End of preview.

Helico contact evaluation v1: Protenix-v1 validation inputs

384 full validation complexes from timodonnell/helico-protenix-v1-pdb@164e41cf98d7fdf4d437192a9947138ca2464011. No training or FoldBench entries are included. Inputs use the pinned upstream Protenix feature pipeline, full assemblies without cropping, paired/unpaired protein and RNA alignments and deterministic seed 2301+sorted-entry-index. At most 512 MSA rows are retained, preserving the query and full alignment-derived profile.

Each .pt.gz is a trusted PyTorch payload containing input features and separate reference labels/metric metadata. Native atom_coords, contact_target, contact_valid, coordinate_mask and distogram_mask must be removed from the model input, as done by helico.contact_evaluate.inference_batch. Native labels are used only for scoring and explicitly identified oracle conditioning diagnostics. No templates are retrieved.

Contact labels use minimum heavy-atom distance <5 Å, conservative observed-atom validity and protein-involving pairs excluding same-chain sequence separation <6. The manifest records source categories, counts and every payload checksum. Assets were range-read from the existing verified immutable shard cache, with tar-member name/size verification and individual content hashes.

Source code: https://github.com/Open-Athena/helico/tree/codex/clean-contact-pilot Experiment: https://github.com/Open-Athena/helico/issues/23 Data lock SHA256: 2855c34acc97c8990eb49268f0f17a35f014f76fcd1fac9195dbdd9aaa699114 Upstream Protenix source: 85767b811c40ed46e73a9b39519cf6bfca8701ba Source tar dataset: LiteFold/protenix-data@47150f5244c15967e69315f3937d0ebcf863f317

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