Jan Weinreich's repositories
best_batchers
Bayesian Optimization Hackathon for Chemistry and Materials, Project 15: Adaptive Batch Sizes for Bayesian Optimization of Reaction Yield
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.
Language:HTMLMIT000
Buttons
How to create Markdown buttons.
CC-BY-SA-4.0000
janweinreich
Config files for my GitHub profile.
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molzip
The gzip classification method implemented for molecule classification.
Language:PythonMIT000
Language:Jupyter NotebookMIT000
openmm-tutorials
Quickstart Python tutorials helping molecular dynamics practitioners get up to speed with OpenMM
Language:Rich Text FormatMIT000
Language:Python000
Language:Jupyter Notebook000