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hyper-dti / app.py

Commit History

develop working retrieval app for pre-defined target
6a624f6

knfn081 commited on

Update app.py
71914fa

emmas96 commited on

Update app.py
f02c033

emmas96 commited on

Update app.py
490595c

emmas96 commited on

revert temporary print of protein embedding
d1491c7

emmas96 commited on

temporary write SeqVec emb
2800f58

emmas96 commited on

simplify functionality
1c4e31a

emmas96 commited on

add references
1182013

emmas96 commited on

include example protein structure without prediction
4f1ea03

emmas96 commited on

indentation
7a60b00

emmas96 commited on

revert esm structure prediction
daeb1af

emmas96 commited on

change figure path
2f247b2

emmas96 commited on

new attempt at displaying protein
1753f35

emmas96 commited on

final touches to dummy functionalities
601b6c8

emmas96 commited on

small bugs
9574464

emmas96 commited on

reformulate
818c6db

emmas96 commited on

bug
3bd2944

emmas96 commited on

reformulations
b318bc6

emmas96 commited on

indentation bug
4011e18

emmas96 commited on

add warnings and progress bars
499faaf

emmas96 commited on

repeat dummy smiles in retrieval
483853f

emmas96 commited on

temporarily simplify protein encoding
2d2e3fe

emmas96 commited on

bug in retrieval
51218b3

emmas96 commited on

update illustrations of respective encoders
65c318c

emmas96 commited on

update interface to choose target in retrieval
94a9538

emmas96 commited on

update retrieval
3c1ebe4

emmas96 commited on

update comments for planned future functionalities
63ce71b

emmas96 commited on

try esm fold
8d25d5d

emmas96 commited on

try protein sequence prediction directly with esm package
39315d2

emmas96 commited on

rename function to display protein
ce1a0a5

emmas96 commited on

predict protein sequence using esm from bio-embeddings
2f637fc

emmas96 commited on

check basic dependency in new version
e869110

emmas96 commited on

temporarily disable display dti
f58b2a4

emmas96 commited on

add dummy retrieval page
9e6028d

emmas96 commited on

fix bug in bio_embedding usage
09b62c7

emmas96 commited on

revert to check seqvec from bio_embeddings allennlp only
ae5b369

emmas96 commited on

redirect SeqVec
d847984

emmas96 commited on

use precomputed embeddings
1107c98

emmas96 commited on

change to internal default CDDD model
f398b03

emmas96 commited on

Update app.py
c442b67

emmas96 commited on

Update app.py
7e90759

emmas96 commited on

load molecule encoder checkpoints from HuggingFace model card
1a8ab89

emmas96 commited on

bug
a3c68c5

emmas96 commited on

Update app.py
3bc3619

emmas96 commited on

Update app.py
7b657a7

emmas96 commited on

check loading of UniRep parameters
6a2a788

emmas96 commited on

bug
152ae56

emmas96 commited on

add dummy encoders for drug and target
ef4a36f

emmas96 commited on

optional cddd embedding
2abf58c

emmas96 commited on

omit protein display temporarily
7f14dcf

emmas96 commited on