A unified, curated Buchwald–Hartwig (BH) high-throughput experimentation (HTE) dataset (JnJ dedicated production + open-source) Notebooks to reproduce results: Out-of-distribution (OOD) benchmarking ...
We recommend using Anaconda to manage the Python environment. In this work, we use conda version 4.13.0, and install the following packages in the virtual environment midm. conda create -n midm ...