Datasets:
Add files using upload-large-folder tool
Browse files- molecules/test.parquet +3 -0
- molecules/tiny_test.parquet +3 -0
- molecules/train.parquet +3 -0
- molecules/val.parquet +3 -0
- nacid/dna_encoder_fast.parquet +3 -0
- nacid/dna_tiny_test.parquet +3 -0
- nacid/rna_encoder_fast.parquet +3 -0
- nacid/rna_tiny_test.parquet +3 -0
- protein/protein_pretrain_4A.parquet +3 -0
- protein/protein_pretrain_4A_part_002.parquet +3 -0
- protein/protein_pretrain_4A_part_003.parquet +3 -0
- protein/protein_pretrain_4A_part_004.parquet +3 -0
- protein/protein_pretrain_4A_part_005.parquet +3 -0
- protein/protein_pretrain_4A_part_006.parquet +3 -0
- protein/protein_pretrain_4A_part_007.parquet +3 -0
- protein/protein_pretrain_4A_part_008.parquet +3 -0
- protein/protein_pretrain_4A_part_009.parquet +3 -0
- protein/protein_pretrain_4A_part_010.parquet +3 -0
- test/molecule.parquet +3 -0
- test/protein.parquet +3 -0
- test/raw/molecule.txt +50 -0
- test/raw/protein.txt +17 -0
molecules/test.parquet
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version https://git-lfs.github.com/spec/v1
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oid sha256:f6836737d72efa697733d3cb38be5bf596305f6e0b619abdf9a615bea97e4d9a
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size 6978079
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molecules/tiny_test.parquet
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version https://git-lfs.github.com/spec/v1
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size 476667
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molecules/train.parquet
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version https://git-lfs.github.com/spec/v1
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size 1021688040
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molecules/val.parquet
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version https://git-lfs.github.com/spec/v1
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size 3413025
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nacid/dna_encoder_fast.parquet
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version https://git-lfs.github.com/spec/v1
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size 2169276548
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nacid/dna_tiny_test.parquet
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version https://git-lfs.github.com/spec/v1
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nacid/rna_encoder_fast.parquet
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version https://git-lfs.github.com/spec/v1
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nacid/rna_tiny_test.parquet
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version https://git-lfs.github.com/spec/v1
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oid sha256:5139f177314989715275ada1500948b9065bc748db6cd8c86dd22f69c92985d7
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size 24430627
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protein/protein_pretrain_4A.parquet
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version https://git-lfs.github.com/spec/v1
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oid sha256:8e3de0f13704efe662d57725703398f5b59c137c311397a83a8c28b30edcaad1
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size 3797093200
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protein/protein_pretrain_4A_part_002.parquet
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version https://git-lfs.github.com/spec/v1
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oid sha256:db3382e507992a530204d10528c37dcda0b2976eaf9bde89c25bb4193faab511
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size 544082554
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protein/protein_pretrain_4A_part_003.parquet
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version https://git-lfs.github.com/spec/v1
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oid sha256:91944e586310306045890bb70e937bd248a46c65ea4f5e2e832351394c369d99
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protein/protein_pretrain_4A_part_004.parquet
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version https://git-lfs.github.com/spec/v1
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oid sha256:61fdfd94e751fc863bcf1bc7665e08bbfb22511f951482239f062c7d99f6ea6c
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size 1427256868
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protein/protein_pretrain_4A_part_005.parquet
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version https://git-lfs.github.com/spec/v1
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oid sha256:cac48468bc2468db31535ad52df603e9b918a24e02d07f3bbd316bd687b33776
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size 4140318063
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protein/protein_pretrain_4A_part_006.parquet
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version https://git-lfs.github.com/spec/v1
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oid sha256:dbd1a80655549e8239b0167e3dadd14ff8a8ccfed58a030afbdde806056c404c
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size 1045991981
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protein/protein_pretrain_4A_part_007.parquet
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version https://git-lfs.github.com/spec/v1
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size 1642351547
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protein/protein_pretrain_4A_part_008.parquet
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version https://git-lfs.github.com/spec/v1
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size 1726638474
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protein/protein_pretrain_4A_part_009.parquet
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version https://git-lfs.github.com/spec/v1
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oid sha256:62beb97da6767627287cf7ac6b89fb9fb10b918031d75fcc43ad17dafedc63fd
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protein/protein_pretrain_4A_part_010.parquet
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version https://git-lfs.github.com/spec/v1
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oid sha256:28d85fabe282b7fcd367e28a5c2abdb0d58c6c32482474f223595f29b4dd6d92
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size 1070469815
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test/molecule.parquet
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version https://git-lfs.github.com/spec/v1
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oid sha256:818604af16c7c09de3148d1e9067c8f9d92c330559ef8878145a36ed359a21bc
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size 74363
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test/protein.parquet
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version https://git-lfs.github.com/spec/v1
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oid sha256:7e3325107969d06edb8dd87751abfe46eb1c6230468cd63c5a37b422be8d87ef
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size 12025311
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test/raw/molecule.txt
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| 1 |
+
Cc1cc(=O)oc2ccc3c(c12)C1(C)OOC1(C)O3
|
| 2 |
+
CN(CC(O)CO)N=O
|
| 3 |
+
O=[N+]([O-])c1ccc(OC2CO2)cc1
|
| 4 |
+
Cn1cnc2cc([N+](=O)[O-])ccc21
|
| 5 |
+
CC[C@H](CO)NCCN[C@H](CC)CO
|
| 6 |
+
CC(C)(C)NCC(O)c1cc(Cl)c(N)c(C(F)(F)F)c1
|
| 7 |
+
Cc1ccc2c(ccc3ccccc32)c1
|
| 8 |
+
OC[PH](CO)(CO)CO
|
| 9 |
+
C/C=C/c1ccc(OC)cc1
|
| 10 |
+
c1ccc2c(c1)-c1cc3c(cc1C1NC21)-c1ccccc1C1NC31
|
| 11 |
+
COc1nsc2cccc([N+](=O)[O-])c12
|
| 12 |
+
CC(C)=CCC1CCCC1=O
|
| 13 |
+
Nc1ccc(Oc2cccc(Oc3ccc(N)cc3)c2)cc1
|
| 14 |
+
CCCCCCCCCCCCOC(=O)CCSCCC(=O)OCCCCCCCCCCCC
|
| 15 |
+
OCC(CO)N[C@@H]1C[C@](O)(CO)[C@H](O)[C@@H](O)[C@@H]1O
|
| 16 |
+
O=[N+]([O-])c1ccc(COc2ccccc2)cc1
|
| 17 |
+
CCOC(=O)N(CC)N=O
|
| 18 |
+
CCCCCCN(N=O)C(N)=O
|
| 19 |
+
O=C(C(=O)c1ccccc1)c1ccccc1
|
| 20 |
+
Cc1ccccc1OCC1CO1
|
| 21 |
+
CC(C)N(N)C(C)C
|
| 22 |
+
Oc1c(Cl)cccc1Cl
|
| 23 |
+
Nc1ccccc1SCSc1ccccc1N
|
| 24 |
+
Cc1ccncc1
|
| 25 |
+
CC(=O)Oc1ccc2c(c1)OC1(C)OOC21C
|
| 26 |
+
Nc1ccc2c(c1)Cc1cc([N+](=O)[O-])ccc1-2
|
| 27 |
+
c1ccc2c(c1)-c1ccc3ccccc3c1C1NC21
|
| 28 |
+
c1ccc(C2NC2c2ccccc2)cc1
|
| 29 |
+
Cc1ccc2ccccc2c1[N+](=O)[O-]
|
| 30 |
+
NCCN
|
| 31 |
+
O=C1NC(=O)[C@@H]2CC=CC[C@H]12
|
| 32 |
+
CC(C)(C)c1ccc(OC[C@H]2CO2)cc1
|
| 33 |
+
CC(C)NCC(O)COc1cccc2[nH]c3ccccc3c12
|
| 34 |
+
COc1ccc(CNC(=O)C(C)Br)cc1
|
| 35 |
+
ClCc1cccc(CCl)c1
|
| 36 |
+
CC1=CC[C@H]2C[C@@H]1C2(C)C
|
| 37 |
+
O=[N+]([O-])c1c2c(c3ccc4cccc5ccc1c3c45)CCC=C2
|
| 38 |
+
CCCCN(N=O)/C(C=O)=N/O
|
| 39 |
+
Cc1ccc(NN=NCc2ccccc2)cc1
|
| 40 |
+
CN(C)NC(=O)CCC(=O)O
|
| 41 |
+
Cc1c2ccccc2c(CO)c2ccccc12
|
| 42 |
+
CC(=O)c1ccccc1
|
| 43 |
+
CN(C)CCOC(c1ccccc1)c1ccccc1
|
| 44 |
+
O=[N+]([O-])c1ccc2ccc3cc4c(c5ccc1c2c35)C(O)C(O)C=C4
|
| 45 |
+
O=[N+]([O-])C(Cl)(Cl)Cl
|
| 46 |
+
c1ccc(Nc2cccc3ccccc23)cc1
|
| 47 |
+
COC[C@@H](O)Cn1cc([N+](=O)[O-])nc1Cl
|
| 48 |
+
C=C(C)C1CO1
|
| 49 |
+
CNC(=O)[C@@H](C)SCCSP(=O)(OC)OC
|
| 50 |
+
CC(=O)Nc1ccc2ccccc2n1
|
test/raw/protein.txt
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| 1 |
+
2MIO
|
| 2 |
+
3AL6
|
| 3 |
+
6H86
|
| 4 |
+
7F6L
|
| 5 |
+
8ITY
|
| 6 |
+
8IUH
|
| 7 |
+
9FSO
|
| 8 |
+
9FSQ
|
| 9 |
+
9FSS
|
| 10 |
+
3AL5
|
| 11 |
+
5N9G
|
| 12 |
+
6Y7F
|
| 13 |
+
7LXF
|
| 14 |
+
8IUE
|
| 15 |
+
8J07
|
| 16 |
+
9FSP
|
| 17 |
+
9FSR
|