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Cuda-Quantum-Molecular-Playground

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Cuda-Quantum-Molecular-Playground / visualization.py

Commit History

Final commit working for release version

3045ca3

A19grey commited on Feb 5

first push of improved py3dmol display using o3-mini, not tested

bff43af

A19grey commited on Feb 1

removed RDkit and molgallery for display no going back and just using plotly by hand

7f2024d

A19grey commited on Jan 31

added time warning about simulation run time

899a4d8

A19grey commited on Jan 23

everything seems to work committing until I have more GPU credits

50f8f8c

A19grey commited on Jan 14

Fixed molecule3d by replacing H with N atoms in the view, seems to work

39acd0b

A19grey commited on Jan 14

I can't draw water molecule but giving up for now

af9d37a

A19grey commited on Jan 6

Molecule3D displays for some molecules but not all, bug where clicking on H2 breaks drop down

2fe0690

A19grey commited on Jan 6

updated to working molgallery3D but still need to fix bugs for H2 and H2O, app crashing now for unknown reasons

7216f39

A19grey commited on Jan 6

Updating to new 3D visualizer molgallery3D and need to restart space to install

0f5f6d3

A19grey commited on Jan 6