chemprop

chemprop

aamini

Fast and scalable uncertainty quantification for neural molecular property prediction, accelerated optimization, and guided virtual screening.

neural-network
View on GitHub
136 Stars
17 Forks
4 Watchers
Python Language
mit License
100 SrcLog Score
Cost to Build
$21.61M
Market Value
$34.92M
How is this calculated?

Growth over time

9 data points  ·  2022-02-01 → 2026-09-01
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What is the aamini/chemprop GitHub project? Description: "Fast and scalable uncertainty quantification for neural molecular property prediction, accelerated optimization, and guided virtual screening.". Written in Python. Explain what it does, its main use cases, key features, and who would benefit from using it.

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How to clone chemprop

Clone via HTTPS

git clone https://github.com/aamini/chemprop.git

Clone via SSH

[email protected]:aamini/chemprop.git

Download ZIP

Download confidence-evidential.zip

Found an issue?

Report bugs or request features on the chemprop issue tracker:

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