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DiffDock-Pocket-Web

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DiffDock-Pocket-Web

Commit History

Add license

247038e

silterra commited on Feb 21, 2024

Change pocket center inputs to be text

40e4bad

silterra commited on Feb 7, 2024

Add UI inputs for pocket center x/y/z and flexible sidechains.

275b482

silterra commited on Feb 7, 2024

Improve logging

3ee7677

silterra commited on Nov 15, 2023

Display ligand (SDF) file as well as protein.

b1dc6ad

silterra commited on Nov 14, 2023

Complete overhaul of the UI.

5c0a4b6

silterra commited on Nov 13, 2023

Add ability to upload a YAML file with other arguments (all passed to inference.py).

0303515

silterra commited on Nov 13, 2023

Install gradio in this image, instead of base DiffDock-Pocker image.

25e2e8a

silterra commited on Nov 6, 2023

Tweak output zip filename

47e84bb

silterra commited on Nov 2, 2023

Add standard python .gitignore file

bd9e411

silterra commited on Nov 2, 2023

Change name to DiffDock-Pocket Web

251b92f

silterra commited on Nov 2, 2023

Some reformatting and refactoring. Upgrade gradio to 3.50.

28fb149

silterra commited on Nov 2, 2023

Have gradio app call inference.py

6daa4cc

silterra commited on Nov 2, 2023

Inherit from other container again

74830dc

silterra commited on Nov 1, 2023

Switch to gradio UI

e533974

silterra commited on Nov 1, 2023

Update readme

90ab2dd

silterra commited on Nov 1, 2023

Tweaks for updated Gradio

6d9b318

silterra commited on Nov 1, 2023

Switch to gradio app

7fc9185

silterra commited on Nov 1, 2023

Set server address

06643fb

silterra commited on Nov 1, 2023

Simplify Dockerfile. Just testing streamlit now

6862690

silterra commited on Nov 1, 2023

Change working directory

43db59c

silterra commited on Nov 1, 2023

Add a comment just because I need to change something

4cd1ad2

silterra commited on Nov 1, 2023

Use CMD instead of entrypoint

077dcab

silterra commited on Nov 1, 2023

Set to non-root user

f64d1b3

silterra commited on Nov 1, 2023

Add entrypoint script

cce856b

silterra commited on Oct 31, 2023

Set root_prefix

fd67120

silterra commited on Oct 31, 2023

Add basic streamlit app

68787b5

silterra commited on Oct 31, 2023

Use our other diffdock-pocket image as a base

a02989c

silterra commited on Oct 30, 2023

Switch to Docker space

c877fd9

silterra commited on Oct 30, 2023

Add basic app and basic Dockerfile

ec60126

silterra commited on Oct 30, 2023

Very basic initial streamlit app

1cfa9d3

silterra commited on Oct 30, 2023

initial commit

32d0f59

silterra commited on Oct 30, 2023