Commit History

Fix HF Spaces initialization by properly exposing demo variable
7b3bfff

Vaishnav14220 commited on

Remove manual uvicorn.run to fix port binding conflict in HF Spaces
5cd75da

Vaishnav14220 commited on

Add FastAPI endpoints for NIST kinetics data access
b489aa1

Vaishnav14220 commited on

Fix incorrect indentation causing build_interface to return string instead of Blocks object
62825c2

Vaishnav14220 commited on

Remove gr.Examples block that may be causing demo to be a string
edba958

Vaishnav14220 commited on

Fix Blocks creation syntax to avoid demo being a string
b094a04

Vaishnav14220 commited on

Remove invalid 'info' parameter from gr.Button components
73e02e3

Vaishnav14220 commited on

Fix indentation errors in app.py
8fc453a

Vaishnav14220 commited on

Fix indentation error in Reaction Detail tab - ensure proper gr.Row() block structure and indentation
005d5b7

Vaishnav14220 commited on

Fix indentation errors in Search and Reaction Detail tabs - ensure all tab content is properly indented within TabItem blocks
35712f3

Vaishnav14220 commited on

Fix indentation error in render_reaction_svg function - ensure proper indentation for if blocks
dfa9811

Vaishnav14220 commited on

Deploy app with syntax issue to test on Hugging Face - the error may be environment-specific
40e0218

Vaishnav14220 commited on

Enhance Reaction SVG tab: AI processing happens FIRST before rendering - DeepSeek analyzes and completes reactions before RDKit SVG generation, ensuring all reactions are properly enhanced/validated/completed
7ac4139

Vaishnav14220 commited on

Add DeepSeek AI integration for reaction completion: API key input, automatic reaction completion using DeepSeek-V3.2-Exp, enhanced UI with AI options, and OpenAI dependency
d474c53

Vaishnav14220 commited on

Fix NIST reaction rendering: Add comprehensive SMILES mapping for radicals, cyclic compounds, and complex formulas like C2H3, c-C3H2, etc. Handle spaces in formulas and special notation.
d90ea25

Vaishnav14220 commited on

Add comprehensive NIST reaction dropdown with RDKit SVG rendering using specified parameters (subImgSize=(200, 200), useSVG=True, returnPNG=False)
34c4a25

Vaishnav14220 commited on

Add auto-fetch thermodynamic data for search queries and selected reactions, plus animation options for plots
2385d69

Vaishnav14220 commited on

Restore all original app features: Search, Reaction Detail, Reaction SVG tabs, plus add individual database tabs
e46b082

Vaishnav14220 commited on

Fix kinetics plot return value - unpack tuple to avoid AttributeError
27caf5c

Vaishnav14220 commited on

Add missing dependencies: nist_kinetics_api.py and pandas in requirements.txt
10cbdda

Vaishnav14220 commited on

Update app with individual database tabs and kinetics plotter
474d359

Vaishnav14220 commited on

Improve reaction SVG extraction and rendering from NIST data
8e9a87a

Vaishnav14220 commited on

Reorganize Reaction Detail layout: details SVG plot
4a8bfe4

Vaishnav14220 commited on

Add auto-render SVG on selection and common reaction presets
d64616a

Vaishnav14220 commited on

Add SVG rendering in reaction detail tab
994cda0

Vaishnav14220 commited on

Use Gradio native launch to avoid port conflicts
6df10d2

Vaishnav14220 commited on

Ensure uvicorn runs in Spaces using provided port
ff28b9f

Vaishnav14220 commited on

Guard uvicorn run when deployed on Spaces
65ed7b2

Vaishnav14220 commited on

Run FastAPI app via uvicorn to avoid port conflicts
eaf0c8f

Vaishnav14220 commited on

Add RDKit reaction SVG rendering tab
0a24ce6

Vaishnav14220 commited on

Expose REST API endpoints for search, detail, Arrhenius
4946745

Vaishnav14220 commited on

Improve reaction detail plot parsing and defaults
c54866e

Vaishnav14220 commited on

Remove separate Arrhenius Plot tab, keep plot only in Reaction Detail
c15c518

Vaishnav14220 commited on

Fix plot generation to handle missing Ea parameter
d597b72

Vaishnav14220 commited on

Add interactive Arrhenius plot for each reaction detail
0778dd2

Vaishnav14220 commited on

Simplify search layout to single line input
bc3c09f

Vaishnav14220 commited on

Fix Plot height parameter compatibility issue
ca2f0ad

Vaishnav14220 commited on

Fix Dataframe height parameter compatibility issue
cae0ddb

Vaishnav14220 commited on

Add NIST kinetics Gradio app with API and requirements
87b607f

Vaishnav14220 commited on

initial commit
04f5594
verified

smitathkr1 commited on