Commit History

added logging for gradio demo loading and molecule geometry creation
2a24c63
Running

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removed failed line of simulatino result
f877d59

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Final commit working for release version
3045ca3

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Updated to gradio 5.12.0 maybe it will help stuff
7810903
verified

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relaxed py3dmol requirements package
0a85c30
verified

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first push of improved py3dmol display using o3-mini, not tested
bff43af

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removed RDkit and molgallery for display no going back and just using plotly by hand
7f2024d

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Model works with updated server_name and ssr_mode false, and added client x-ip-token to fix zeroGPU timeout but now am at back of GPU queue
6196475

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added explicit server name and SSR=False callouts in demo.launch and removed gradio/gradio_client from reqs file
5dc8161

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SSH broken app won't build at all so removing gradio from requirements.txt since it seems gradio is installed before reqs.tct anyway
1ec711e
verified

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Removed requirement on gradio_client specific version due to conflicts.
c9bfd12
verified

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gradio is broken - adding gradio_cleint and import spaces sooner to try to fix
0f3c8b4

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added time warning about simulation run time
899a4d8

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updated history with todo
5ee2ac4

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fixed new bug calling spaces.gpu incorrectly and reduced extra spaces.gpu calls
876ad06

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everything seems to work committing until I have more GPU credits
50f8f8c

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updated top text display and molecular view, allowed gpu and iteration time set per molecule
842b0e1

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updated history.md file
03a0eb9

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Fixed molecule3d by replacing H with N atoms in the view, seems to work
39acd0b

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Clarified top explainer text. Remaining bugs are 3D display of H2 and cant select H2 molecule in dropdown
43a8f54

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limited character output of circuit to not crash the app
7189b3c

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added mode to enable or disable molecules in display out of GPU time today for dev work,I guess I gotta port over to T4
bd11228

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Added display of full circuit Hamiltonian and reworked position of tiles
8d15d81

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Added display of full circuit Hamiltonian and reworked position of tiles
e0fff0e

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I can't draw water molecule but giving up for now
af9d37a

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updated hamiltonian generation to display before simulation
a7e196c

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updated hamiltonian generation to display before simulation
b7aaf5c

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updated hamiltonian generation to display before simulation
8bd0402

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updated hamiltonian generation to display before simulation
06f630a

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updated hamiltonian generation to display before simulation
afea326

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updated hamiltonian generation process and better explanation, but paused on development since out of GPU for now
9d6ef8d

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Molecule3D displays for some molecules but not all, bug where clicking on H2 breaks drop down
2fe0690

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updated to working molgallery3D but still need to fix bugs for H2 and H2O, app crashing now for unknown reasons
7216f39

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Updating to new 3D visualizer molgallery3D and need to restart space to install
0f5f6d3

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