|
--- |
|
dataset_info: |
|
- config_name: '4.2' |
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features: |
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- name: backbone |
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struct: |
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- name: coords |
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dtype: |
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array2_d: |
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- 3 |
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dtype: uint8 |
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- name: chain_id |
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dtype: |
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array1_d: |
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dtype: string |
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- name: atom_name |
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array1_d: |
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- name: residue_starts |
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dtype: |
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array1_d: |
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dtype: |
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array1_d: |
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dtype: bool |
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dtype: |
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array1_d: |
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shape: |
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dtype: int32 |
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- name: name |
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dtype: string |
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- name: CATH |
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splits: |
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num_bytes: 22661222.0 |
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num_examples: 1120 |
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num_examples: 18024 |
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- name: validation |
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num_bytes: 13182171.0 |
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num_examples: 608 |
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download_size: 141115822 |
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dataset_size: 523265178.0 |
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bio_features: |
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- name: backbone |
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dtype: |
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protein_atom_array_feature: |
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residue_dictionary: |
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residue_names: |
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- ALA |
|
- ARG |
|
- ASN |
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- ASP |
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- CYS |
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- GLN |
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- GLU |
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- GLY |
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- HIS |
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- ILE |
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- LEU |
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- LYS |
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- MET |
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- PHE |
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- PRO |
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- SER |
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- THR |
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- TRP |
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- TYR |
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- UNK |
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- VAL |
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residue_letters: |
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- A |
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- R |
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- N |
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- D |
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- C |
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- Q |
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- E |
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- G |
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- H |
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- I |
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- L |
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- K |
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- M |
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- F |
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- P |
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- S |
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- T |
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- W |
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- Y |
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- X |
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- V |
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residue_atoms: |
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ALA: |
|
- N |
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- CA |
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- C |
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- O |
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- CB |
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ARG: |
|
- N |
|
- CA |
|
- C |
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- O |
|
- CB |
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- CG |
|
- CD |
|
- NE |
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- CZ |
|
- NH1 |
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- NH2 |
|
ASN: |
|
- N |
|
- CA |
|
- C |
|
- O |
|
- CB |
|
- CG |
|
- OD1 |
|
- ND2 |
|
ASP: |
|
- N |
|
- CA |
|
- C |
|
- O |
|
- CB |
|
- CG |
|
- OD1 |
|
- OD2 |
|
CYS: |
|
- N |
|
- CA |
|
- C |
|
- O |
|
- CB |
|
- SG |
|
GLN: |
|
- N |
|
- CA |
|
- C |
|
- O |
|
- CB |
|
- CG |
|
- CD |
|
- OE1 |
|
- NE2 |
|
GLU: |
|
- N |
|
- CA |
|
- C |
|
- O |
|
- CB |
|
- CG |
|
- CD |
|
- OE1 |
|
- OE2 |
|
GLY: |
|
- N |
|
- CA |
|
- C |
|
- O |
|
HIS: |
|
- N |
|
- CA |
|
- C |
|
- O |
|
- CB |
|
- CG |
|
- ND1 |
|
- CD2 |
|
- CE1 |
|
- NE2 |
|
ILE: |
|
- N |
|
- CA |
|
- C |
|
- O |
|
- CB |
|
- CG1 |
|
- CG2 |
|
- CD1 |
|
LEU: |
|
- N |
|
- CA |
|
- C |
|
- O |
|
- CB |
|
- CG |
|
- CD1 |
|
- CD2 |
|
LYS: |
|
- N |
|
- CA |
|
- C |
|
- O |
|
- CB |
|
- CG |
|
- CD |
|
- CE |
|
- NZ |
|
MET: |
|
- N |
|
- CA |
|
- C |
|
- O |
|
- CB |
|
- CG |
|
- SD |
|
- CE |
|
PHE: |
|
- N |
|
- CA |
|
- C |
|
- O |
|
- CB |
|
- CG |
|
- CD1 |
|
- CD2 |
|
- CE1 |
|
- CE2 |
|
- CZ |
|
PRO: |
|
- N |
|
- CA |
|
- C |
|
- O |
|
- CB |
|
- CG |
|
- CD |
|
SER: |
|
- N |
|
- CA |
|
- C |
|
- O |
|
- CB |
|
- OG |
|
THR: |
|
- N |
|
- CA |
|
- C |
|
- O |
|
- CB |
|
- OG1 |
|
- CG2 |
|
TRP: |
|
- N |
|
- CA |
|
- C |
|
- O |
|
- CB |
|
- CG |
|
- CD1 |
|
- CD2 |
|
- NE1 |
|
- CE2 |
|
- CE3 |
|
- CZ2 |
|
- CZ3 |
|
- CH2 |
|
TYR: |
|
- N |
|
- CA |
|
- C |
|
- O |
|
- CB |
|
- CG |
|
- CD1 |
|
- CD2 |
|
- CE1 |
|
- CE2 |
|
- CZ |
|
- OH |
|
UNK: |
|
- N |
|
- CA |
|
- C |
|
- O |
|
- CB |
|
- CG |
|
VAL: |
|
- N |
|
- CA |
|
- C |
|
- O |
|
- CB |
|
- CG1 |
|
- CG2 |
|
residue_elements: |
|
ALA: |
|
- N |
|
- C |
|
- C |
|
- O |
|
- C |
|
ARG: |
|
- N |
|
- C |
|
- C |
|
- O |
|
- C |
|
- C |
|
- C |
|
- N |
|
- C |
|
- N |
|
- N |
|
ASN: |
|
- N |
|
- C |
|
- C |
|
- O |
|
- C |
|
- C |
|
- O |
|
- N |
|
ASP: |
|
- N |
|
- C |
|
- C |
|
- O |
|
- C |
|
- C |
|
- O |
|
- O |
|
CYS: |
|
- N |
|
- C |
|
- C |
|
- O |
|
- C |
|
- S |
|
GLN: |
|
- N |
|
- C |
|
- C |
|
- O |
|
- C |
|
- C |
|
- C |
|
- O |
|
- N |
|
GLU: |
|
- N |
|
- C |
|
- C |
|
- O |
|
- C |
|
- C |
|
- C |
|
- O |
|
- O |
|
GLY: |
|
- N |
|
- C |
|
- C |
|
- O |
|
HIS: |
|
- N |
|
- C |
|
- C |
|
- O |
|
- C |
|
- C |
|
- N |
|
- C |
|
- C |
|
- N |
|
ILE: |
|
- N |
|
- C |
|
- C |
|
- O |
|
- C |
|
- C |
|
- C |
|
- C |
|
LEU: |
|
- N |
|
- C |
|
- C |
|
- O |
|
- C |
|
- C |
|
- C |
|
- C |
|
LYS: |
|
- N |
|
- C |
|
- C |
|
- O |
|
- C |
|
- C |
|
- C |
|
- C |
|
- N |
|
MET: |
|
- N |
|
- C |
|
- C |
|
- O |
|
- C |
|
- C |
|
- S |
|
- C |
|
PHE: |
|
- N |
|
- C |
|
- C |
|
- O |
|
- C |
|
- C |
|
- C |
|
- C |
|
- C |
|
- C |
|
- C |
|
PRO: |
|
- N |
|
- C |
|
- C |
|
- O |
|
- C |
|
- C |
|
- C |
|
SER: |
|
- N |
|
- C |
|
- C |
|
- O |
|
- C |
|
- O |
|
THR: |
|
- N |
|
- C |
|
- C |
|
- O |
|
- C |
|
- O |
|
- C |
|
TRP: |
|
- N |
|
- C |
|
- C |
|
- O |
|
- C |
|
- C |
|
- C |
|
- C |
|
- N |
|
- C |
|
- C |
|
- C |
|
- C |
|
- C |
|
TYR: |
|
- N |
|
- C |
|
- C |
|
- O |
|
- C |
|
- C |
|
- C |
|
- C |
|
- C |
|
- C |
|
- C |
|
- O |
|
UNK: |
|
- N |
|
- C |
|
- C |
|
- O |
|
- C |
|
- C |
|
VAL: |
|
- N |
|
- C |
|
- C |
|
- O |
|
- C |
|
- C |
|
- C |
|
unknown_residue_name: UNK |
|
atom_types: |
|
- N |
|
- CA |
|
- C |
|
- CB |
|
- O |
|
- CG |
|
- CG1 |
|
- CG2 |
|
- OG |
|
- OG1 |
|
- SG |
|
- CD |
|
- CD1 |
|
- CD2 |
|
- ND1 |
|
- ND2 |
|
- OD1 |
|
- OD2 |
|
- SD |
|
- CE |
|
- CE1 |
|
- CE2 |
|
- CE3 |
|
- NE |
|
- NE1 |
|
- NE2 |
|
- OE1 |
|
- OE2 |
|
- CH2 |
|
- NH1 |
|
- NH2 |
|
- OH |
|
- CZ |
|
- CZ2 |
|
- CZ3 |
|
- NZ |
|
- OXT |
|
element_types: |
|
- C |
|
- N |
|
- O |
|
- S |
|
residue_categories: |
|
ALA: protein |
|
ARG: protein |
|
ASN: protein |
|
ASP: protein |
|
CYS: protein |
|
GLN: protein |
|
GLU: protein |
|
GLY: protein |
|
HIS: protein |
|
ILE: protein |
|
LEU: protein |
|
LYS: protein |
|
MET: protein |
|
PHE: protein |
|
PRO: protein |
|
SER: protein |
|
THR: protein |
|
TRP: protein |
|
TYR: protein |
|
UNK: protein |
|
VAL: protein |
|
backbone_atoms: |
|
- N |
|
- CA |
|
- C |
|
- O |
|
conversions: |
|
- residue: MSE |
|
to_residue: MET |
|
atom_swaps: |
|
- - SE |
|
- SD |
|
element_swaps: |
|
- - SE |
|
- S |
|
- residue: SEC |
|
to_residue: CYS |
|
atom_swaps: |
|
- - SE |
|
- SG |
|
element_swaps: |
|
- - SE |
|
- S |
|
backbone_only: true |
|
- name: num_chains |
|
dtype: int32 |
|
- name: name |
|
dtype: string |
|
- name: CATH |
|
dtype: string |
|
- config_name: '4.3' |
|
features: |
|
- name: backbone |
|
struct: |
|
- name: coords |
|
dtype: |
|
array2_d: |
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shape: |
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- null |
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- 3 |
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dtype: float32 |
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- name: restype_index |
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dtype: |
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array1_d: |
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shape: |
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- null |
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dtype: uint8 |
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- name: chain_id |
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dtype: |
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array1_d: |
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shape: |
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- null |
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dtype: string |
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- name: atom_name |
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dtype: |
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array1_d: |
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shape: |
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- null |
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dtype: string |
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- name: residue_starts |
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dtype: |
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array1_d: |
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shape: |
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- null |
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dtype: uint32 |
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- name: hetero |
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dtype: |
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array1_d: |
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shape: |
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dtype: bool |
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- name: element |
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dtype: |
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array1_d: |
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shape: |
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dtype: string |
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- name: num_chains |
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dtype: int32 |
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- name: name |
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dtype: string |
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- name: CATH |
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dtype: string |
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splits: |
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- name: train |
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num_bytes: 441739545.0 |
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num_examples: 16699 |
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- name: test |
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num_bytes: 38851651.0 |
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num_examples: 1882 |
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num_bytes: 34041442.0 |
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num_examples: 1529 |
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download_size: 139755975 |
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dataset_size: 514632638.0 |
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bio_features: |
|
- name: backbone |
|
dtype: |
|
protein_atom_array_feature: |
|
residue_dictionary: |
|
residue_names: |
|
- ALA |
|
- ARG |
|
- ASN |
|
- ASP |
|
- CYS |
|
- GLN |
|
- GLU |
|
- GLY |
|
- HIS |
|
- ILE |
|
- LEU |
|
- LYS |
|
- MET |
|
- PHE |
|
- PRO |
|
- SER |
|
- THR |
|
- TRP |
|
- TYR |
|
- UNK |
|
- VAL |
|
residue_letters: |
|
- A |
|
- R |
|
- N |
|
- D |
|
- C |
|
- Q |
|
- E |
|
- G |
|
- H |
|
- I |
|
- L |
|
- K |
|
- M |
|
- F |
|
- P |
|
- S |
|
- T |
|
- W |
|
- Y |
|
- X |
|
- V |
|
residue_atoms: |
|
ALA: |
|
- N |
|
- CA |
|
- C |
|
- O |
|
- CB |
|
ARG: |
|
- N |
|
- CA |
|
- C |
|
- O |
|
- CB |
|
- CG |
|
- CD |
|
- NE |
|
- CZ |
|
- NH1 |
|
- NH2 |
|
ASN: |
|
- N |
|
- CA |
|
- C |
|
- O |
|
- CB |
|
- CG |
|
- OD1 |
|
- ND2 |
|
ASP: |
|
- N |
|
- CA |
|
- C |
|
- O |
|
- CB |
|
- CG |
|
- OD1 |
|
- OD2 |
|
CYS: |
|
- N |
|
- CA |
|
- C |
|
- O |
|
- CB |
|
- SG |
|
GLN: |
|
- N |
|
- CA |
|
- C |
|
- O |
|
- CB |
|
- CG |
|
- CD |
|
- OE1 |
|
- NE2 |
|
GLU: |
|
- N |
|
- CA |
|
- C |
|
- O |
|
- CB |
|
- CG |
|
- CD |
|
- OE1 |
|
- OE2 |
|
GLY: |
|
- N |
|
- CA |
|
- C |
|
- O |
|
HIS: |
|
- N |
|
- CA |
|
- C |
|
- O |
|
- CB |
|
- CG |
|
- ND1 |
|
- CD2 |
|
- CE1 |
|
- NE2 |
|
ILE: |
|
- N |
|
- CA |
|
- C |
|
- O |
|
- CB |
|
- CG1 |
|
- CG2 |
|
- CD1 |
|
LEU: |
|
- N |
|
- CA |
|
- C |
|
- O |
|
- CB |
|
- CG |
|
- CD1 |
|
- CD2 |
|
LYS: |
|
- N |
|
- CA |
|
- C |
|
- O |
|
- CB |
|
- CG |
|
- CD |
|
- CE |
|
- NZ |
|
MET: |
|
- N |
|
- CA |
|
- C |
|
- O |
|
- CB |
|
- CG |
|
- SD |
|
- CE |
|
PHE: |
|
- N |
|
- CA |
|
- C |
|
- O |
|
- CB |
|
- CG |
|
- CD1 |
|
- CD2 |
|
- CE1 |
|
- CE2 |
|
- CZ |
|
PRO: |
|
- N |
|
- CA |
|
- C |
|
- O |
|
- CB |
|
- CG |
|
- CD |
|
SER: |
|
- N |
|
- CA |
|
- C |
|
- O |
|
- CB |
|
- OG |
|
THR: |
|
- N |
|
- CA |
|
- C |
|
- O |
|
- CB |
|
- OG1 |
|
- CG2 |
|
TRP: |
|
- N |
|
- CA |
|
- C |
|
- O |
|
- CB |
|
- CG |
|
- CD1 |
|
- CD2 |
|
- NE1 |
|
- CE2 |
|
- CE3 |
|
- CZ2 |
|
- CZ3 |
|
- CH2 |
|
TYR: |
|
- N |
|
- CA |
|
- C |
|
- O |
|
- CB |
|
- CG |
|
- CD1 |
|
- CD2 |
|
- CE1 |
|
- CE2 |
|
- CZ |
|
- OH |
|
UNK: |
|
- N |
|
- CA |
|
- C |
|
- O |
|
- CB |
|
- CG |
|
VAL: |
|
- N |
|
- CA |
|
- C |
|
- O |
|
- CB |
|
- CG1 |
|
- CG2 |
|
residue_elements: |
|
ALA: |
|
- N |
|
- C |
|
- C |
|
- O |
|
- C |
|
ARG: |
|
- N |
|
- C |
|
- C |
|
- O |
|
- C |
|
- C |
|
- C |
|
- N |
|
- C |
|
- N |
|
- N |
|
ASN: |
|
- N |
|
- C |
|
- C |
|
- O |
|
- C |
|
- C |
|
- O |
|
- N |
|
ASP: |
|
- N |
|
- C |
|
- C |
|
- O |
|
- C |
|
- C |
|
- O |
|
- O |
|
CYS: |
|
- N |
|
- C |
|
- C |
|
- O |
|
- C |
|
- S |
|
GLN: |
|
- N |
|
- C |
|
- C |
|
- O |
|
- C |
|
- C |
|
- C |
|
- O |
|
- N |
|
GLU: |
|
- N |
|
- C |
|
- C |
|
- O |
|
- C |
|
- C |
|
- C |
|
- O |
|
- O |
|
GLY: |
|
- N |
|
- C |
|
- C |
|
- O |
|
HIS: |
|
- N |
|
- C |
|
- C |
|
- O |
|
- C |
|
- C |
|
- N |
|
- C |
|
- C |
|
- N |
|
ILE: |
|
- N |
|
- C |
|
- C |
|
- O |
|
- C |
|
- C |
|
- C |
|
- C |
|
LEU: |
|
- N |
|
- C |
|
- C |
|
- O |
|
- C |
|
- C |
|
- C |
|
- C |
|
LYS: |
|
- N |
|
- C |
|
- C |
|
- O |
|
- C |
|
- C |
|
- C |
|
- C |
|
- N |
|
MET: |
|
- N |
|
- C |
|
- C |
|
- O |
|
- C |
|
- C |
|
- S |
|
- C |
|
PHE: |
|
- N |
|
- C |
|
- C |
|
- O |
|
- C |
|
- C |
|
- C |
|
- C |
|
- C |
|
- C |
|
- C |
|
PRO: |
|
- N |
|
- C |
|
- C |
|
- O |
|
- C |
|
- C |
|
- C |
|
SER: |
|
- N |
|
- C |
|
- C |
|
- O |
|
- C |
|
- O |
|
THR: |
|
- N |
|
- C |
|
- C |
|
- O |
|
- C |
|
- O |
|
- C |
|
TRP: |
|
- N |
|
- C |
|
- C |
|
- O |
|
- C |
|
- C |
|
- C |
|
- C |
|
- N |
|
- C |
|
- C |
|
- C |
|
- C |
|
- C |
|
TYR: |
|
- N |
|
- C |
|
- C |
|
- O |
|
- C |
|
- C |
|
- C |
|
- C |
|
- C |
|
- C |
|
- C |
|
- O |
|
UNK: |
|
- N |
|
- C |
|
- C |
|
- O |
|
- C |
|
- C |
|
VAL: |
|
- N |
|
- C |
|
- C |
|
- O |
|
- C |
|
- C |
|
- C |
|
unknown_residue_name: UNK |
|
atom_types: |
|
- N |
|
- CA |
|
- C |
|
- CB |
|
- O |
|
- CG |
|
- CG1 |
|
- CG2 |
|
- OG |
|
- OG1 |
|
- SG |
|
- CD |
|
- CD1 |
|
- CD2 |
|
- ND1 |
|
- ND2 |
|
- OD1 |
|
- OD2 |
|
- SD |
|
- CE |
|
- CE1 |
|
- CE2 |
|
- CE3 |
|
- NE |
|
- NE1 |
|
- NE2 |
|
- OE1 |
|
- OE2 |
|
- CH2 |
|
- NH1 |
|
- NH2 |
|
- OH |
|
- CZ |
|
- CZ2 |
|
- CZ3 |
|
- NZ |
|
- OXT |
|
element_types: |
|
- C |
|
- N |
|
- O |
|
- S |
|
residue_categories: |
|
ALA: protein |
|
ARG: protein |
|
ASN: protein |
|
ASP: protein |
|
CYS: protein |
|
GLN: protein |
|
GLU: protein |
|
GLY: protein |
|
HIS: protein |
|
ILE: protein |
|
LEU: protein |
|
LYS: protein |
|
MET: protein |
|
PHE: protein |
|
PRO: protein |
|
SER: protein |
|
THR: protein |
|
TRP: protein |
|
TYR: protein |
|
UNK: protein |
|
VAL: protein |
|
backbone_atoms: |
|
- N |
|
- CA |
|
- C |
|
- O |
|
conversions: |
|
- residue: MSE |
|
to_residue: MET |
|
atom_swaps: |
|
- - SE |
|
- SD |
|
element_swaps: |
|
- - SE |
|
- S |
|
- residue: SEC |
|
to_residue: CYS |
|
atom_swaps: |
|
- - SE |
|
- SG |
|
element_swaps: |
|
- - SE |
|
- S |
|
backbone_only: true |
|
- name: num_chains |
|
dtype: int32 |
|
- name: name |
|
dtype: string |
|
- name: CATH |
|
dtype: string |
|
configs: |
|
- config_name: '4.2' |
|
data_files: |
|
- split: test |
|
path: 4.2/test-* |
|
- split: train |
|
path: 4.2/train-* |
|
- split: validation |
|
path: 4.2/validation-* |
|
- config_name: '4.3' |
|
data_files: |
|
- split: train |
|
path: 4.3/train-* |
|
- split: test |
|
path: 4.3/test-* |
|
- split: validation |
|
path: 4.3/validation-* |
|
--- |
|
|
