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Commit History
2 days ago
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Scope tile CSS under #props so Gradio's base reset can't override it
Co-Authored-By: Claude Opus 5.5 <noreply@anthropic.com>03af2c8 -
Tidy layout: property tiles under images, even example grid
- Show molecule properties as tiles below the structure/heatmap - Subscript digits in the formula - Lay examples out as an even grid (5 columns, 2 on narrow screens) - Shorten long example label - Credit Cambridge MedChem Consulting dataset without the broken link Co-Authored-By: Claude Opus 5.5 <noreply@anthropic.com>7987111 -
Use Inter font instead of the Soft theme's Montserrat
Co-Authored-By: Claude Opus 5.5 <noreply@anthropic.com>73edba0 -
Polish UI and add Grad-CAM attention heatmap
- Blocks layout with title, description and footer (data source, accuracy) - Soft purple/blue theme matching the Space card - Named example buttons; fix glucose example containing two SMILES - Molecule info table (formula, MW, heavy atoms, canonical SMILES) - Grad-CAM heatmap showing where the CNN looked for the predicted class - Run aspirin on page load so the app opens with a result Co-Authored-By: Claude Opus 5.5 <noreply@anthropic.com>a7a2030 -
Update to current Gradio and pin fastai<2.8 so model loads
- Bump sdk_version 3.1.5 -> 6.30.0, set python_version 3.12 - Pin fastai/fastcore/torch versions compatible with the 2022 model.pkl - Replace removed gr.inputs/gr.outputs API - Render structure in memory (SMILES with '/' crashed when used as filename) - Show a clear error for invalid SMILES - Remove .DS_Store Co-Authored-By: Claude Opus 5.5 <noreply@anthropic.com>b0333c2
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Tried to update output labels
24c8769
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Updated examples
bb06658 -
Delete 9.png
5399a98 -
Delete 8.png
87ca9d7 -
Delete 7.png
3eb04fb -
Delete 6.png
9d0cdf6 -
Delete 5.png
0f7535f -
Delete 4.png
b5fceab -
Delete 3.png
2ce51f5 -
Delete 2.png
b9da241 -
Delete 1.png
2d319f5 -
Delete 0.png
4469a76 -
Updated Smiles function
c9a104a -
Removed image input
8fbf58a -
Updated RDKit function
1d2ff93 -
Update app.py
acb6146 -
Update requirements.txt
bfd96d3 -
Update requirements.txt
2aba676 -
Fixed typo
481c200 -
Added RDkit import
1a70f2f -
Fixed examples bug
46b7a7d -
Added SMILES function
996f0ec -
Upload model.pkl
bf42928 -
Delete model.pkl
7c7fada -
Upload model.pkl
9a64326 -
added requirements.txt
Jon Swain5390359 -
added new examples
Jon Swain2ed5fb1 -
added new files
Jon Swain10cf5c7 -
Update README.md
21f46b3 -
'Added model.pkl'
a57d19f -
'uploaded model'
a2585dd -
added requirements
Jon Swain6f0ccf4 -
added requirements
Jon Swaine365ff4 -
added examples
Jon Swain8b1a9f0 -
built app
Jon Swain68795bd
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Add application file
Jon Swain815e0eb -
initial commit
513f5f2