Commit History

Make orbital tab optional when Psikit unavailable
526a32d

Nanny7 commited on

Add molecular orbital visualization tab
e7217e1

Nanny7 commited on

Add PubChem fallback for SMILES name lookup
26cfee5

Nanny7 commited on

Handle resolver outages in SMILES to Name tab
360448f

Nanny7 commited on

Fix: Remove problematic examples from SMILES to Name tab to prevent API errors
4954e62

Nanny7 commited on

Merge with main branch and keep SMILES to Name feature
b30f054

Nanny7 commited on

Add SMILES to Name conversion tab
b7a9482

Nanny7 commited on

Switch orbital rendering to Plotly isosurface for visible HOMO visualization
2c47364

Vaishnav14220 commited on

Simplify to HOMO orbital visualization using Hartree-Fock for faster computation
fb7d531

Vaishnav14220 commited on

Implement real quantum orbitals using PySCF - Natural Atomic Orbitals with DFT/B3LYP
1b3c9a7

Vaishnav14220 commited on

Fix autocomplete: use filterable Dropdown instead of Textbox for native autocomplete support
e1f2b89

Vaishnav14220 commited on

Add autocomplete for chemical names with 100+ common chemicals, shows top 10 matches from 1st character
ea475f3

Vaishnav14220 commited on

Add proper orbital shapes: s (sphere), p (dumbbell), d (cloverleaf) with better checkbox visibility
7357bca

Vaishnav14220 commited on

Remove atom numbers, show only element symbols and add orbital visualization toggle
e2cbfc6

Vaishnav14220 commited on

Replace 3Dmol.js with Plotly for interactive 3D molecule viewer with atom labels
32797f8

Vaishnav14220 commited on

Add interactive 3D molecule viewer with 3Dmol.js
a3b274d

Vaishnav14220 commited on

Show 3D structure as 2D projection with atom indices instead of iframe
31f1505

Vaishnav14220 commited on

Add atom labels to 3D molecule viewer
1ee8400

Vaishnav14220 commited on

Fix f-string syntax error with backslash
f4744b0

Vaishnav14220 commited on

Use iframe with data URI for 3D viewer to avoid script blocking
a449f78

Vaishnav14220 commited on

Add interactive 3D molecule viewer with 3Dmol.js in the app
31d1503

Vaishnav14220 commited on

Fix File component schema bug - use Textbox for SDF content instead
a6b2934

Vaishnav14220 commited on

Make 3D SDF download button more visible with better labels
904862a

Vaishnav14220 commited on

Add 3D SDF file download to molecule viewer
820ef75

Vaishnav14220 commited on

Switch to 2D molecule viewer with base64 encoded PNG
3945aad

Vaishnav14220 commited on

Fix 3D molecule viewer HTML rendering for Gradio
d157eb5

Vaishnav14220 commited on

Disable example caching to fix cached build error
129f2e9

Vaishnav14220 commited on

Trigger rebuild for 3D molecule viewer fix
e708558

Vaishnav14220 commited on

Update 3D molecule viewer to use 3Dmol.js instead of py3Dmol
f1e54b3

Vaishnav14220 commited on

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smitathkr1 commited on

Update app.py with 3D molecule viewer
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