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PyFock-GUI

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Update src/pages/Molecular_Integrals.py

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ManasSharma07 commited on 20 days ago

Update src/Home.py

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ManasSharma07 commited on 23 days ago

Update src/pages/Molecular_Integrals.py

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ManasSharma07 commited on 23 days ago

Upload Molecular_Integrals.py

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ManasSharma07 commited on 23 days ago

Update src/Home.py

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ManasSharma07 commited on 23 days ago

Update src/Home.py

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ManasSharma07 commited on Dec 3, 2025

update video link

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ManasSharma07 commited on Dec 3, 2025

added abckground video

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ManasSharma07 commited on Dec 2, 2025

Update requirements.txt

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ManasSharma07 commited on Nov 30, 2025

more updates to show convergence plot

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ManasSharma07 commited on Nov 30, 2025

Update src/Home.py

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ManasSharma07 commited on Nov 29, 2025

Update README.md

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ManasSharma07 commited on Nov 29, 2025

Update requirements.txt

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ManasSharma07 commited on Nov 29, 2025

Update src/Home.py

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ManasSharma07 commited on Nov 29, 2025

Update src/Home.py

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ManasSharma07 commited on Nov 29, 2025

Update Dockerfile

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ManasSharma07 commited on Nov 29, 2025

Delete src/sample_structures

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ManasSharma07 commited on Nov 29, 2025

Create Home.py

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ManasSharma07 commited on Nov 29, 2025

Delete src/streamlit_app.py

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ManasSharma07 commited on Nov 29, 2025

Update requirements.txt

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ManasSharma07 commited on Nov 29, 2025

Update requirements.txt

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ManasSharma07 commited on Nov 29, 2025

Update Dockerfile

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ManasSharma07 commited on Nov 29, 2025

Update Dockerfile

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ManasSharma07 commited on Nov 29, 2025

Update src/streamlit_app.py

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ManasSharma07 commited on Nov 27, 2025

Added new optimizers

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ManasSharma07 commited on Nov 27, 2025

added 4 mace off models

db88eb3
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ManasSharma07 commited on Nov 27, 2025

Update src/streamlit_app.py

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ManasSharma07 commited on Nov 27, 2025

Update src/streamlit_app.py

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ManasSharma07 commited on Nov 27, 2025

Update src/streamlit_app.py

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ManasSharma07 commited on Nov 27, 2025

Update requirements.txt

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ManasSharma07 commited on Nov 26, 2025

Update requirements.txt

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ManasSharma07 commited on Nov 26, 2025

Update requirements.txt

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ManasSharma07 commited on Nov 26, 2025

add orbmol model and fix issues with orb models

5c86435
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ManasSharma07 commited on Nov 26, 2025

add materials project ID support

da79a56
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ManasSharma07 commited on Nov 26, 2025

some more updates to keep consistency with local version

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ManasSharma07 commited on Nov 25, 2025

Update requirements.txt

8447c3d
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ManasSharma07 commited on Nov 25, 2025

show tech stack and sys info

24249c5
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ManasSharma07 commited on Nov 25, 2025

Update src/streamlit_app.py

87fb71f
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ManasSharma07 commited on Nov 25, 2025

add torch dftd for dispersion

94ec0e1
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ManasSharma07 commited on Nov 25, 2025

upgrade fairchem

d2b2742
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ManasSharma07 commited on Nov 25, 2025

update app to include latest features available locally

7a3ef28
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ManasSharma07 commited on Nov 25, 2025

Update Dockerfile

c8f704d
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ManasSharma07 commited on Nov 24, 2025

fix software properties common bug

608c1c8
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ManasSharma07 commited on Nov 24, 2025

try if mattersim works now

d13bf65
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ManasSharma07 commited on Nov 24, 2025

Update requirements.txt

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ManasSharma07 commited on Nov 24, 2025

Update src/streamlit_app.py

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ManasSharma07 commited on Jun 26, 2025

Update src/streamlit_app.py

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ManasSharma07 commited on Jun 26, 2025

Update src/streamlit_app.py

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ManasSharma07 commited on Jun 26, 2025

Update src/streamlit_app.py

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ManasSharma07 commited on Jun 23, 2025

Update src/streamlit_app.py

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ManasSharma07 commited on Jun 11, 2025