Upload dataset
Browse files- 4.2/test-00000-of-00001.parquet +3 -0
- README.md +601 -0
4.2/test-00000-of-00001.parquet
ADDED
@@ -0,0 +1,3 @@
|
|
|
|
|
|
|
|
|
1 |
+
version https://git-lfs.github.com/spec/v1
|
2 |
+
oid sha256:0cf8180317bf86e744c2287e993f588ff554f5305b2ee7e2b8fb47fa7fe9fa8e
|
3 |
+
size 6428040
|
README.md
ADDED
@@ -0,0 +1,601 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
1 |
+
---
|
2 |
+
dataset_info:
|
3 |
+
config_name: '4.2'
|
4 |
+
features:
|
5 |
+
- name: backbone
|
6 |
+
struct:
|
7 |
+
- name: coords
|
8 |
+
dtype:
|
9 |
+
array2_d:
|
10 |
+
shape:
|
11 |
+
- null
|
12 |
+
- 3
|
13 |
+
dtype: float32
|
14 |
+
- name: restype_index
|
15 |
+
dtype:
|
16 |
+
array1_d:
|
17 |
+
shape:
|
18 |
+
- null
|
19 |
+
dtype: uint8
|
20 |
+
- name: chain_id
|
21 |
+
dtype:
|
22 |
+
array1_d:
|
23 |
+
shape:
|
24 |
+
- null
|
25 |
+
dtype: string
|
26 |
+
- name: atom_name
|
27 |
+
dtype:
|
28 |
+
array1_d:
|
29 |
+
shape:
|
30 |
+
- null
|
31 |
+
dtype: string
|
32 |
+
- name: residue_starts
|
33 |
+
dtype:
|
34 |
+
array1_d:
|
35 |
+
shape:
|
36 |
+
- null
|
37 |
+
dtype: uint32
|
38 |
+
- name: hetero
|
39 |
+
dtype:
|
40 |
+
array1_d:
|
41 |
+
shape:
|
42 |
+
- null
|
43 |
+
dtype: bool
|
44 |
+
- name: element
|
45 |
+
dtype:
|
46 |
+
array1_d:
|
47 |
+
shape:
|
48 |
+
- null
|
49 |
+
dtype: string
|
50 |
+
- name: num_chains
|
51 |
+
dtype: int32
|
52 |
+
- name: name
|
53 |
+
dtype: string
|
54 |
+
- name: CATH
|
55 |
+
dtype: string
|
56 |
+
splits:
|
57 |
+
- name: test
|
58 |
+
num_bytes: 22661222.0
|
59 |
+
num_examples: 1120
|
60 |
+
download_size: 6428040
|
61 |
+
dataset_size: 22661222.0
|
62 |
+
bio_features:
|
63 |
+
- name: backbone
|
64 |
+
dtype:
|
65 |
+
protein_atom_array_feature:
|
66 |
+
residue_dictionary:
|
67 |
+
residue_names:
|
68 |
+
- ALA
|
69 |
+
- ARG
|
70 |
+
- ASN
|
71 |
+
- ASP
|
72 |
+
- CYS
|
73 |
+
- GLN
|
74 |
+
- GLU
|
75 |
+
- GLY
|
76 |
+
- HIS
|
77 |
+
- ILE
|
78 |
+
- LEU
|
79 |
+
- LYS
|
80 |
+
- MET
|
81 |
+
- PHE
|
82 |
+
- PRO
|
83 |
+
- SER
|
84 |
+
- THR
|
85 |
+
- TRP
|
86 |
+
- TYR
|
87 |
+
- UNK
|
88 |
+
- VAL
|
89 |
+
residue_letters:
|
90 |
+
- A
|
91 |
+
- R
|
92 |
+
- N
|
93 |
+
- D
|
94 |
+
- C
|
95 |
+
- Q
|
96 |
+
- E
|
97 |
+
- G
|
98 |
+
- H
|
99 |
+
- I
|
100 |
+
- L
|
101 |
+
- K
|
102 |
+
- M
|
103 |
+
- F
|
104 |
+
- P
|
105 |
+
- S
|
106 |
+
- T
|
107 |
+
- W
|
108 |
+
- Y
|
109 |
+
- X
|
110 |
+
- V
|
111 |
+
residue_atoms:
|
112 |
+
ALA:
|
113 |
+
- N
|
114 |
+
- CA
|
115 |
+
- C
|
116 |
+
- O
|
117 |
+
- CB
|
118 |
+
ARG:
|
119 |
+
- N
|
120 |
+
- CA
|
121 |
+
- C
|
122 |
+
- O
|
123 |
+
- CB
|
124 |
+
- CG
|
125 |
+
- CD
|
126 |
+
- NE
|
127 |
+
- CZ
|
128 |
+
- NH1
|
129 |
+
- NH2
|
130 |
+
ASN:
|
131 |
+
- N
|
132 |
+
- CA
|
133 |
+
- C
|
134 |
+
- O
|
135 |
+
- CB
|
136 |
+
- CG
|
137 |
+
- OD1
|
138 |
+
- ND2
|
139 |
+
ASP:
|
140 |
+
- N
|
141 |
+
- CA
|
142 |
+
- C
|
143 |
+
- O
|
144 |
+
- CB
|
145 |
+
- CG
|
146 |
+
- OD1
|
147 |
+
- OD2
|
148 |
+
CYS:
|
149 |
+
- N
|
150 |
+
- CA
|
151 |
+
- C
|
152 |
+
- O
|
153 |
+
- CB
|
154 |
+
- SG
|
155 |
+
GLN:
|
156 |
+
- N
|
157 |
+
- CA
|
158 |
+
- C
|
159 |
+
- O
|
160 |
+
- CB
|
161 |
+
- CG
|
162 |
+
- CD
|
163 |
+
- OE1
|
164 |
+
- NE2
|
165 |
+
GLU:
|
166 |
+
- N
|
167 |
+
- CA
|
168 |
+
- C
|
169 |
+
- O
|
170 |
+
- CB
|
171 |
+
- CG
|
172 |
+
- CD
|
173 |
+
- OE1
|
174 |
+
- OE2
|
175 |
+
GLY:
|
176 |
+
- N
|
177 |
+
- CA
|
178 |
+
- C
|
179 |
+
- O
|
180 |
+
HIS:
|
181 |
+
- N
|
182 |
+
- CA
|
183 |
+
- C
|
184 |
+
- O
|
185 |
+
- CB
|
186 |
+
- CG
|
187 |
+
- ND1
|
188 |
+
- CD2
|
189 |
+
- CE1
|
190 |
+
- NE2
|
191 |
+
ILE:
|
192 |
+
- N
|
193 |
+
- CA
|
194 |
+
- C
|
195 |
+
- O
|
196 |
+
- CB
|
197 |
+
- CG1
|
198 |
+
- CG2
|
199 |
+
- CD1
|
200 |
+
LEU:
|
201 |
+
- N
|
202 |
+
- CA
|
203 |
+
- C
|
204 |
+
- O
|
205 |
+
- CB
|
206 |
+
- CG
|
207 |
+
- CD1
|
208 |
+
- CD2
|
209 |
+
LYS:
|
210 |
+
- N
|
211 |
+
- CA
|
212 |
+
- C
|
213 |
+
- O
|
214 |
+
- CB
|
215 |
+
- CG
|
216 |
+
- CD
|
217 |
+
- CE
|
218 |
+
- NZ
|
219 |
+
MET:
|
220 |
+
- N
|
221 |
+
- CA
|
222 |
+
- C
|
223 |
+
- O
|
224 |
+
- CB
|
225 |
+
- CG
|
226 |
+
- SD
|
227 |
+
- CE
|
228 |
+
PHE:
|
229 |
+
- N
|
230 |
+
- CA
|
231 |
+
- C
|
232 |
+
- O
|
233 |
+
- CB
|
234 |
+
- CG
|
235 |
+
- CD1
|
236 |
+
- CD2
|
237 |
+
- CE1
|
238 |
+
- CE2
|
239 |
+
- CZ
|
240 |
+
PRO:
|
241 |
+
- N
|
242 |
+
- CA
|
243 |
+
- C
|
244 |
+
- O
|
245 |
+
- CB
|
246 |
+
- CG
|
247 |
+
- CD
|
248 |
+
SER:
|
249 |
+
- N
|
250 |
+
- CA
|
251 |
+
- C
|
252 |
+
- O
|
253 |
+
- CB
|
254 |
+
- OG
|
255 |
+
THR:
|
256 |
+
- N
|
257 |
+
- CA
|
258 |
+
- C
|
259 |
+
- O
|
260 |
+
- CB
|
261 |
+
- OG1
|
262 |
+
- CG2
|
263 |
+
TRP:
|
264 |
+
- N
|
265 |
+
- CA
|
266 |
+
- C
|
267 |
+
- O
|
268 |
+
- CB
|
269 |
+
- CG
|
270 |
+
- CD1
|
271 |
+
- CD2
|
272 |
+
- NE1
|
273 |
+
- CE2
|
274 |
+
- CE3
|
275 |
+
- CZ2
|
276 |
+
- CZ3
|
277 |
+
- CH2
|
278 |
+
TYR:
|
279 |
+
- N
|
280 |
+
- CA
|
281 |
+
- C
|
282 |
+
- O
|
283 |
+
- CB
|
284 |
+
- CG
|
285 |
+
- CD1
|
286 |
+
- CD2
|
287 |
+
- CE1
|
288 |
+
- CE2
|
289 |
+
- CZ
|
290 |
+
- OH
|
291 |
+
UNK:
|
292 |
+
- N
|
293 |
+
- CA
|
294 |
+
- C
|
295 |
+
- O
|
296 |
+
- CB
|
297 |
+
- CG
|
298 |
+
VAL:
|
299 |
+
- N
|
300 |
+
- CA
|
301 |
+
- C
|
302 |
+
- O
|
303 |
+
- CB
|
304 |
+
- CG1
|
305 |
+
- CG2
|
306 |
+
residue_elements:
|
307 |
+
ALA:
|
308 |
+
- N
|
309 |
+
- C
|
310 |
+
- C
|
311 |
+
- O
|
312 |
+
- C
|
313 |
+
ARG:
|
314 |
+
- N
|
315 |
+
- C
|
316 |
+
- C
|
317 |
+
- O
|
318 |
+
- C
|
319 |
+
- C
|
320 |
+
- C
|
321 |
+
- N
|
322 |
+
- C
|
323 |
+
- N
|
324 |
+
- N
|
325 |
+
ASN:
|
326 |
+
- N
|
327 |
+
- C
|
328 |
+
- C
|
329 |
+
- O
|
330 |
+
- C
|
331 |
+
- C
|
332 |
+
- O
|
333 |
+
- N
|
334 |
+
ASP:
|
335 |
+
- N
|
336 |
+
- C
|
337 |
+
- C
|
338 |
+
- O
|
339 |
+
- C
|
340 |
+
- C
|
341 |
+
- O
|
342 |
+
- O
|
343 |
+
CYS:
|
344 |
+
- N
|
345 |
+
- C
|
346 |
+
- C
|
347 |
+
- O
|
348 |
+
- C
|
349 |
+
- S
|
350 |
+
GLN:
|
351 |
+
- N
|
352 |
+
- C
|
353 |
+
- C
|
354 |
+
- O
|
355 |
+
- C
|
356 |
+
- C
|
357 |
+
- C
|
358 |
+
- O
|
359 |
+
- N
|
360 |
+
GLU:
|
361 |
+
- N
|
362 |
+
- C
|
363 |
+
- C
|
364 |
+
- O
|
365 |
+
- C
|
366 |
+
- C
|
367 |
+
- C
|
368 |
+
- O
|
369 |
+
- O
|
370 |
+
GLY:
|
371 |
+
- N
|
372 |
+
- C
|
373 |
+
- C
|
374 |
+
- O
|
375 |
+
HIS:
|
376 |
+
- N
|
377 |
+
- C
|
378 |
+
- C
|
379 |
+
- O
|
380 |
+
- C
|
381 |
+
- C
|
382 |
+
- N
|
383 |
+
- C
|
384 |
+
- C
|
385 |
+
- N
|
386 |
+
ILE:
|
387 |
+
- N
|
388 |
+
- C
|
389 |
+
- C
|
390 |
+
- O
|
391 |
+
- C
|
392 |
+
- C
|
393 |
+
- C
|
394 |
+
- C
|
395 |
+
LEU:
|
396 |
+
- N
|
397 |
+
- C
|
398 |
+
- C
|
399 |
+
- O
|
400 |
+
- C
|
401 |
+
- C
|
402 |
+
- C
|
403 |
+
- C
|
404 |
+
LYS:
|
405 |
+
- N
|
406 |
+
- C
|
407 |
+
- C
|
408 |
+
- O
|
409 |
+
- C
|
410 |
+
- C
|
411 |
+
- C
|
412 |
+
- C
|
413 |
+
- N
|
414 |
+
MET:
|
415 |
+
- N
|
416 |
+
- C
|
417 |
+
- C
|
418 |
+
- O
|
419 |
+
- C
|
420 |
+
- C
|
421 |
+
- S
|
422 |
+
- C
|
423 |
+
PHE:
|
424 |
+
- N
|
425 |
+
- C
|
426 |
+
- C
|
427 |
+
- O
|
428 |
+
- C
|
429 |
+
- C
|
430 |
+
- C
|
431 |
+
- C
|
432 |
+
- C
|
433 |
+
- C
|
434 |
+
- C
|
435 |
+
PRO:
|
436 |
+
- N
|
437 |
+
- C
|
438 |
+
- C
|
439 |
+
- O
|
440 |
+
- C
|
441 |
+
- C
|
442 |
+
- C
|
443 |
+
SER:
|
444 |
+
- N
|
445 |
+
- C
|
446 |
+
- C
|
447 |
+
- O
|
448 |
+
- C
|
449 |
+
- O
|
450 |
+
THR:
|
451 |
+
- N
|
452 |
+
- C
|
453 |
+
- C
|
454 |
+
- O
|
455 |
+
- C
|
456 |
+
- O
|
457 |
+
- C
|
458 |
+
TRP:
|
459 |
+
- N
|
460 |
+
- C
|
461 |
+
- C
|
462 |
+
- O
|
463 |
+
- C
|
464 |
+
- C
|
465 |
+
- C
|
466 |
+
- C
|
467 |
+
- N
|
468 |
+
- C
|
469 |
+
- C
|
470 |
+
- C
|
471 |
+
- C
|
472 |
+
- C
|
473 |
+
TYR:
|
474 |
+
- N
|
475 |
+
- C
|
476 |
+
- C
|
477 |
+
- O
|
478 |
+
- C
|
479 |
+
- C
|
480 |
+
- C
|
481 |
+
- C
|
482 |
+
- C
|
483 |
+
- C
|
484 |
+
- C
|
485 |
+
- O
|
486 |
+
UNK:
|
487 |
+
- N
|
488 |
+
- C
|
489 |
+
- C
|
490 |
+
- O
|
491 |
+
- C
|
492 |
+
- C
|
493 |
+
VAL:
|
494 |
+
- N
|
495 |
+
- C
|
496 |
+
- C
|
497 |
+
- O
|
498 |
+
- C
|
499 |
+
- C
|
500 |
+
- C
|
501 |
+
unknown_residue_name: UNK
|
502 |
+
atom_types:
|
503 |
+
- N
|
504 |
+
- CA
|
505 |
+
- C
|
506 |
+
- CB
|
507 |
+
- O
|
508 |
+
- CG
|
509 |
+
- CG1
|
510 |
+
- CG2
|
511 |
+
- OG
|
512 |
+
- OG1
|
513 |
+
- SG
|
514 |
+
- CD
|
515 |
+
- CD1
|
516 |
+
- CD2
|
517 |
+
- ND1
|
518 |
+
- ND2
|
519 |
+
- OD1
|
520 |
+
- OD2
|
521 |
+
- SD
|
522 |
+
- CE
|
523 |
+
- CE1
|
524 |
+
- CE2
|
525 |
+
- CE3
|
526 |
+
- NE
|
527 |
+
- NE1
|
528 |
+
- NE2
|
529 |
+
- OE1
|
530 |
+
- OE2
|
531 |
+
- CH2
|
532 |
+
- NH1
|
533 |
+
- NH2
|
534 |
+
- OH
|
535 |
+
- CZ
|
536 |
+
- CZ2
|
537 |
+
- CZ3
|
538 |
+
- NZ
|
539 |
+
- OXT
|
540 |
+
element_types:
|
541 |
+
- C
|
542 |
+
- N
|
543 |
+
- O
|
544 |
+
- S
|
545 |
+
residue_categories:
|
546 |
+
ALA: protein
|
547 |
+
ARG: protein
|
548 |
+
ASN: protein
|
549 |
+
ASP: protein
|
550 |
+
CYS: protein
|
551 |
+
GLN: protein
|
552 |
+
GLU: protein
|
553 |
+
GLY: protein
|
554 |
+
HIS: protein
|
555 |
+
ILE: protein
|
556 |
+
LEU: protein
|
557 |
+
LYS: protein
|
558 |
+
MET: protein
|
559 |
+
PHE: protein
|
560 |
+
PRO: protein
|
561 |
+
SER: protein
|
562 |
+
THR: protein
|
563 |
+
TRP: protein
|
564 |
+
TYR: protein
|
565 |
+
UNK: protein
|
566 |
+
VAL: protein
|
567 |
+
backbone_atoms:
|
568 |
+
- N
|
569 |
+
- CA
|
570 |
+
- C
|
571 |
+
- O
|
572 |
+
conversions:
|
573 |
+
- residue: MSE
|
574 |
+
to_residue: MET
|
575 |
+
atom_swaps:
|
576 |
+
- - SE
|
577 |
+
- SD
|
578 |
+
element_swaps:
|
579 |
+
- - SE
|
580 |
+
- S
|
581 |
+
- residue: SEC
|
582 |
+
to_residue: CYS
|
583 |
+
atom_swaps:
|
584 |
+
- - SE
|
585 |
+
- SG
|
586 |
+
element_swaps:
|
587 |
+
- - SE
|
588 |
+
- S
|
589 |
+
backbone_only: true
|
590 |
+
- name: num_chains
|
591 |
+
dtype: int32
|
592 |
+
- name: name
|
593 |
+
dtype: string
|
594 |
+
- name: CATH
|
595 |
+
dtype: string
|
596 |
+
configs:
|
597 |
+
- config_name: '4.2'
|
598 |
+
data_files:
|
599 |
+
- split: test
|
600 |
+
path: 4.2/test-*
|
601 |
+
---
|