Replaces proprietary ADMET prediction software and manual QSAR modeling. It utilizes Directed Message Passing Neural Networks to predict molecular properties directly from chemical graphs.
Tech Stack
PythonChemistry & Materials
Why chemprop?
• State-of-the-art accuracy
• Handles 3D descriptors
• GPU acceleration support
Limitations
• High memory usage
• Requires large training sets
• Complex dependency tree
3/5/2026
Last Update
722
Forks
11
Issues
Other
License
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Competitor Cost
-$1,440
/ year (est. based on Schrödinger ADMET Predictor)
