Hassantaha999/reinvent-UI

An interactive web-based UI app for REINVENT that enables users to generate input files for running REINVENT calculations.

41
/ 100
Emerging

This web-based tool helps chemists and data scientists streamline the setup for molecular design experiments. You input desired molecular properties and parameters, and it generates the necessary files to run REINVENT calculations. It's designed for researchers focused on designing new small molecules using AI.

No commits in the last 6 months.

Use this if you are a chemist or data scientist who needs a user-friendly way to configure and generate input files for REINVENT's AI-driven molecular design calculations.

Not ideal if you need to run the actual REINVENT calculations directly within the browser, as this app only generates the input files.

molecular-design drug-discovery cheminformatics generative-chemistry small-molecule-synthesis
Stale 6m No Package No Dependents
Maintenance 2 / 25
Adoption 6 / 25
Maturity 16 / 25
Community 17 / 25

How are scores calculated?

Stars

20

Forks

9

Language

Python

License

Apache-2.0

Last pushed

Jun 12, 2025

Commits (30d)

0

Get this data via API

curl "https://pt-edge.onrender.com/api/v1/quality/generative-ai/Hassantaha999/reinvent-UI"

Open to everyone — 100 requests/day, no key needed. Get a free key for 1,000/day.