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hyper-dti

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Commit History

Update app.py

f02c033

emmas96 commited on Dec 7, 2023

Update requirements.txt

9dfcfbe

emmas96 commited on Dec 7, 2023

relax rdkit version requirement

3e511ab

emmas96 commited on Dec 7, 2023

Update requirements.txt

3829522

emmas96 commited on Dec 7, 2023

Update app.py

490595c

emmas96 commited on Dec 7, 2023

Update requirements.txt

f334b14

emmas96 commited on Dec 7, 2023

revert temporary print of protein embedding

d1491c7

emmas96 commited on Dec 5, 2023

temporary write SeqVec emb

2800f58

emmas96 commited on Dec 5, 2023

simplify functionality

1c4e31a

emmas96 commited on Dec 5, 2023

add references

1182013

emmas96 commited on May 25, 2023

include example protein structure without prediction

4f1ea03

emmas96 commited on May 25, 2023

upload example protein structure

52833bb

emmas96 commited on May 25, 2023

indentation

7a60b00

emmas96 commited on May 24, 2023

revert esm structure prediction

daeb1af

emmas96 commited on May 24, 2023

change figure path

2f247b2

emmas96 commited on May 24, 2023

delete

8cfbd33

emmas96 commited on May 24, 2023

delete

00cf546

emmas96 commited on May 24, 2023

delete

25a53ab

emmas96 commited on May 24, 2023

delete

e3b08a5

emmas96 commited on May 24, 2023

delete

08d88ea

emmas96 commited on May 24, 2023

delete temporary file

8eaaf59

emmas96 commited on May 24, 2023

move figures

075e9bd

emmas96 commited on May 24, 2023

make figures folder

fb58ec6

emmas96 commited on May 24, 2023

new attempt at displaying protein

1753f35

emmas96 commited on May 24, 2023

final touches to dummy functionalities

601b6c8

emmas96 commited on May 24, 2023

update quality of overview figure

65ed60c

emmas96 commited on May 24, 2023

small bugs

9574464

emmas96 commited on May 24, 2023

reformulate

818c6db

emmas96 commited on May 24, 2023

bug

3bd2944

emmas96 commited on May 24, 2023

reformulations

b318bc6

emmas96 commited on May 24, 2023

indentation bug

4011e18

emmas96 commited on May 24, 2023

add warnings and progress bars

499faaf

emmas96 commited on May 24, 2023

repeat dummy smiles in retrieval

483853f

emmas96 commited on May 24, 2023

temporarily simplify protein encoding

2d2e3fe

emmas96 commited on May 24, 2023

bug in retrieval

51218b3

emmas96 commited on May 24, 2023

running versus finished encoder illustrations

3c1a27d

emmas96 commited on May 24, 2023

update illustrations of respective encoders

65c318c

emmas96 commited on May 24, 2023

illustrate molecule encoder

99a9694

emmas96 commited on May 24, 2023

illustrate protein encoder

75506e0

emmas96 commited on May 24, 2023

update hyperpcm overview figure

9de877c

emmas96 commited on May 24, 2023

update interface to choose target in retrieval

94a9538

emmas96 commited on May 24, 2023

update retrieval

3c1ebe4

emmas96 commited on May 24, 2023

temporarily comment out fold dependencies

7c52b50

emmas96 commited on May 24, 2023

update comments for planned future functionalities

63ce71b

emmas96 commited on May 24, 2023

add torch

9cefb25

emmas96 commited on May 24, 2023

attempt to fix missing dependencies for esm fold

0a80a05

emmas96 commited on May 24, 2023

try esm fold

8d25d5d

emmas96 commited on May 24, 2023

try protein sequence prediction directly with esm package

39315d2

emmas96 commited on May 24, 2023

rename function to display protein

ce1a0a5

emmas96 commited on May 24, 2023

predict protein sequence using esm from bio-embeddings

2f637fc

emmas96 commited on May 24, 2023