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MolCraftDiffusion-demo

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MolCraftDiffusion-demo

Commit History

Feb 13

11:59
now supports repeated generation runs with fixed batch size per run:

iflp1908sl

89947eb
11:46
Changed to a much more editable layout.

iflp1908sl

6255e2c
11:43
fix table height

iflp1908sl

edc542e
11:37
conditional mode

iflp1908sl

c3fba41

Feb 12

10:20
attempt to fix left click on atoms #3

iflp1908sl

23202dd
10:13
attempt to fix left click on atoms #2

iflp1908sl

ab1ed5a
10:01
attempt to fix left click on atoms

iflp1908sl

53fda9a
09:44
Switch to unpkg 3Dmol.js, add load polling, and restore pickAt interaction

iflp1908sl

263da6e
09:36
Remove _viewer.on (unsupported) and rely on style callbacks

iflp1908sl

942bc87
09:30
Remove pickAt (unsupported) and add standard viewer click listener

iflp1908sl

502bea7
09:22
Revert 3Dmol.js source to 3Dmol.org to fix display error

iflp1908sl

0195cc7
09:00
Fix blank viewer: resolve JS syntax error in debug log newlines and switch to cdnjs

iflp1908sl

03d4d09
08:49
Add debug console and manual pickAt fallback for 3D viewer clicks

iflp1908sl

7a69b6f
08:40
Fix 3Dmol.js clicks: implement direct pickAt fallback on container mousedown

iflp1908sl

f504144
08:39
Fix 3Dmol.js clicks: add style callbacks and debug logging

iflp1908sl

134b8bf
08:27
Refine 3Dmol.js interactions: avoid duplicate listeners and improve click handling

iflp1908sl

4bea2a3
08:27
Fix 3Dmol.js click detection: add clickable:true to styles

iflp1908sl

c10cf61
08:22
Add interactive 3D measurements: click to measure distance, angle, dihedral

iflp1908sl

b388039
08:15
add formed/qmug models

iflp1908sl

c28ac5f
08:11
Add model selection dropdown: dynamically switch between model subfolders

iflp1908sl

487b323
07:56
Replace gradio_molecule3d with direct 3Dmol.js: full style/bg/label/H control

iflp1908sl

94974e9
07:44
Enhance UI: 3D styles, format selection, 2D preview, and table improvements

iflp1908sl

1eb0a26

Feb 11

14:32
add right model

iflp1908sl

4785141
14:29
Convert XYZ to PDB for compatibility with gradio_molecule3d viewer

iflp1908sl

993440c
14:23
Switch to gradio_molecule3d for proper 3D molecule rendering

iflp1908sl

a599a1a
13:39
Replace 3Dmol.js iframe with Plotly 3D for reliable rendering

iflp1908sl

d72682f
13:32
Fix 3D viz: use base64 data-URI iframes for script execution

iflp1908sl

6ebe0e6
13:25
Patch _json_schema_to_python_type for bool schema handling

iflp1908sl

67ae393
13:21
Monkeypatch Gradio 4.44.0 bool schema bug

iflp1908sl

7203124
13:07
Pin gradio==4.42.0 to fix schema TypeError bug

iflp1908sl

3f7c6ed
13:01
chnage models

iflp1908sl

18103dd
12:06
Add cell2mol + all missing dependencies

iflp1908sl

bcace13
11:57
Install MolecularDiffusion from GitHub instead of copying source

iflp1908sl

1b9196b
11:48
Trim import chains + pin numpy for HF Spaces compatibility

iflp1908sl

c30aafe
11:29
Add ALL missing deps from comprehensive import scan

iflp1908sl

eaccd52
11:21
Pin torch==2.4.0 with matching PyG CPU wheels

iflp1908sl

d67aa47
10:48
Add all missing PyG and other dependencies

iflp1908sl

febcf56
10:21
Add openbabel-wheel dependency

iflp1908sl

48b13aa
10:01
Add cell2mol git dependency

iflp1908sl

5e783a1
09:52
Remove optional cosymlib to fix build

iflp1908sl

a14bbef
09:42
Add full dependency list from README

iflp1908sl

f5377eb
09:31
Add source code (clean)

iflp1908sl

005e4d3
09:17
Downgrade to Python 3.10

iflp1908sl

777c843
09:05
Add pyaudioop for Python 3.13 support

iflp1908sl

d5b6db7

Feb 10

14:24
Fix dependency conflict

iflp1908sl

30c41a1
14:07
Initial commit with robust CPU inference

iflp1908sl

970ac6b
14:05
initial commit

pregH

Verified signature
fea2f4c

Commit History

Feb 13

now supports repeated generation runs with fixed batch size per run:

Changed to a much more editable layout.

fix table height

conditional mode

Feb 12

attempt to fix left click on atoms #3

attempt to fix left click on atoms #2

attempt to fix left click on atoms

Switch to unpkg 3Dmol.js, add load polling, and restore pickAt interaction

Remove _viewer.on (unsupported) and rely on style callbacks

Remove pickAt (unsupported) and add standard viewer click listener

Revert 3Dmol.js source to 3Dmol.org to fix display error

Fix blank viewer: resolve JS syntax error in debug log newlines and switch to cdnjs

Add debug console and manual pickAt fallback for 3D viewer clicks

Fix 3Dmol.js clicks: implement direct pickAt fallback on container mousedown

Fix 3Dmol.js clicks: add style callbacks and debug logging

Refine 3Dmol.js interactions: avoid duplicate listeners and improve click handling

Fix 3Dmol.js click detection: add clickable:true to styles

Add interactive 3D measurements: click to measure distance, angle, dihedral

add formed/qmug models

Add model selection dropdown: dynamically switch between model subfolders

Replace gradio_molecule3d with direct 3Dmol.js: full style/bg/label/H control

Enhance UI: 3D styles, format selection, 2D preview, and table improvements

Feb 11

add right model

Convert XYZ to PDB for compatibility with gradio_molecule3d viewer

Switch to gradio_molecule3d for proper 3D molecule rendering

Replace 3Dmol.js iframe with Plotly 3D for reliable rendering

Fix 3D viz: use base64 data-URI iframes for script execution

Patch _json_schema_to_python_type for bool schema handling

Monkeypatch Gradio 4.44.0 bool schema bug

Pin gradio==4.42.0 to fix schema TypeError bug

chnage models

Add cell2mol + all missing dependencies

Install MolecularDiffusion from GitHub instead of copying source

Trim import chains + pin numpy for HF Spaces compatibility

Add ALL missing deps from comprehensive import scan

Pin torch==2.4.0 with matching PyG CPU wheels

Add all missing PyG and other dependencies

Add openbabel-wheel dependency

Add cell2mol git dependency

Remove optional cosymlib to fix build

Add full dependency list from README

Add source code (clean)

Downgrade to Python 3.10

Add pyaudioop for Python 3.13 support

Feb 10

Fix dependency conflict

Initial commit with robust CPU inference

initial commit