GLambard/SMILES-X
Autonomous characterization of molecular compounds from small datasets without descriptors
This tool helps chemists and materials scientists characterize new molecular compounds efficiently, especially when working with limited experimental data. You provide the SMILES string representation of a molecule, and it autonomously predicts its properties, eliminating the need for manual feature engineering. It's designed for researchers needing rapid property predictions for novel compounds.
No commits in the last 6 months.
Use this if you are a chemist or materials scientist who needs to quickly predict properties of new or hypothetical molecules from small datasets, without the overhead of manually defining molecular descriptors.
Not ideal if you need a tool for large-scale, high-throughput screening where existing descriptor-based methods are already well-established and performant.
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Last pushed
Jun 25, 2025
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Get this data via API
curl "https://pt-edge.onrender.com/api/v1/quality/nlp/GLambard/SMILES-X"
Open to everyone — 100 requests/day, no key needed. Get a free key for 1,000/day.
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