Update README.md
Browse files
README.md
CHANGED
@@ -54,19 +54,10 @@ Angstroms from one another.
|
|
54 |
|
55 |
Each entry in the dataset contains the following keys:
|
56 |
|
57 |
-
|
58 |
-
|
59 |
-
|
60 |
-
|
61 |
-
['token_type_ids'] A mask that corresponds to which inputs_ids/coords belong to the two individual proteins involved in the complex (0 for protein 1 , 1 for protein 2)
|
62 |
-
|
63 |
-
|
64 |
-
['atoms_pairs'] (pandas.DataFrame) Atom coordinates of the complexes.
|
65 |
-
['atoms_neighbors'] (pandas.DataFrame) Indicates which amino acids interacting in each complex.
|
66 |
-
['id'] (str) Contains the PDB filenames, model numbers, and chain IDs of the complexes
|
67 |
-
(format: <PDB_FILE>_<MODEL_NUM1>_<CHAIN_ID1>_<PDB_FILE>_<MODEL_NUM2>_<CHAIN_ID2>)
|
68 |
-
['types'] (dict) Type of each entry.
|
69 |
-
['file_path'] (str) Path to the LMDB.
|
70 |
|
71 |
|
72 |
## Additional Information
|
|
|
54 |
|
55 |
Each entry in the dataset contains the following keys:
|
56 |
|
57 |
+
- ['input_ids'] The set of atomic numbers for both the proteins in the complex concatenated together.
|
58 |
+
- ['coords'] The 3D coordinates for both the proteins in the complex concatenated together.
|
59 |
+
- ['label'] 1 for interacting, 0 for not interacting.
|
60 |
+
- ['token_type_ids'] A mask that corresponds to which inputs_ids/coords belong to the two individual proteins involved in the complex (0 for protein 1 , 1 for protein 2)
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
61 |
|
62 |
|
63 |
## Additional Information
|