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Jan Weinreich's Projects

best_batchers icon best_batchers

Bayesian Optimization Hackathon for Chemistry and Materials, Project 15: Adaptive Batch Sizes for Bayesian Optimization of Reaction Yield

eml icon eml

Encrypted machine learning of molecular quantum properties

molzip icon molzip

The gzip classification method implemented for molecule classification.

openmm-tutorials icon openmm-tutorials

Quickstart Python tutorials helping molecular dynamics practitioners get up to speed with OpenMM

rules_of_acquisition icon rules_of_acquisition

Bayesian Optimization made simple. Name derived from Star Trek universe, the "Rules of Acquisition" are a collection of sacred business proverbs of the ultra-capitalist race known as the Ferengi.

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