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Datasets:
jglaser
/
protein_ligand_contacts
like
5
Tags:
molecules
chemistry
SMILES
Croissant
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protein_ligand_contacts
/
pdbbind.ipynb
Commit History
remove hetero atoms
67f9dbf
jglaser
commited on
Mar 15, 2022
fix two indexing bugs
44b1a31
jglaser
commited on
Mar 15, 2022
update script
02cc741
jglaser
commited on
Mar 13, 2022
add more cutoff distances
8a5e8e2
jglaser
commited on
Mar 13, 2022
fix indexing for [CLS] and [SEP]
759172e
jglaser
commited on
Mar 13, 2022
drop null records
35a0528
jglaser
commited on
Mar 12, 2022
remove index column
e54bc8a
jglaser
commited on
Mar 12, 2022
demote affinity precision to float32
769d58d
jglaser
commited on
Mar 12, 2022
update data and script
b3cf95a
jglaser
commited on
Mar 12, 2022
Initial commit
fcb9799
jglaser
commited on
Mar 12, 2022
jglaser
commited on
