4 citations · 4 across the 3 of their papers we have counts for
3 papers
Use as Directed? A Comparison of Software Tools Intended to Check Rigor and Transparency of Published Work
Peter Eckmann, Adrian Barnett, Alexandra Bannach-Brown +17
The causes of the reproducibility crisis include lack of standardization and transparency in scientific reporting. Checklists such as ARRIVE and CONSORT seek to improve transparenc…
Technical report: Improving the properties of molecules generated by LIMO
Vineet Thumuluri, Peter Eckmann, Michael K. Gilson +1
This technical report investigates variants of the Latent Inceptionism on Molecules (LIMO) framework to improve the properties of generated molecules. We conduct ablative studies o…
MFBind: a Multi-Fidelity Approach for Evaluating Drug Compounds in Practical Generative Modeling
Peter Eckmann, Dongxia Wu, Germano Heinzelmann +2
Current generative models for drug discovery primarily use molecular docking to evaluate the quality of generated compounds. However, such models are often not useful in practice b…