Open-source Curated Datasets with Millions of 3D-minimized Molecules Structures for Download, ADMET predictions, Molecular Descriptors, Fingerprints, Drug-likeness Filters, Similarity Search and more!
↳ Get first access when v1 ships
From early hit-finding to candidate selection, Alchemia replaces the brittle stack of CSVs, scraped tables, and one-off scripts.
Filter millions of compounds against your target profile in seconds.
Unified access to ChEMBL, COCONUT, and regional NP collections.
Standardized features, fingerprints, and ADMET labels ready for ML.
3D conformers, minimization metadata, and lead optimization precomputed.
Every molecule carries its source, license, and standardization history. Nothing is silently transformed.
Pull from 14+ public chemical sources with provenance preserved end-to-end.
Salt strip, tautomer canonicalize, charge normalize, InChIKey reconcile.
Compute properties, fingerprints, ADMET predictions, and 3D conformers.
Query, download, and cite — through API, CLI, or signed-link bulk releases.
We ingest from the public chemical commons and preserve every source license, version, and citation hash.
Early cohort members get extended API rate limits, a direct line to the team, and a voice in the v1 schema.