A critical LangChain Core vulnerability (CVE-2025-68664, CVSS 9.3) allows secret theft and prompt injection through unsafe ...

A Python package for easy molecular docking and docking benchmarking. We can dock molecules in a few lines of code from just a SMILES string! For details, see our paper and our website: García-Ortegón ...

I've been using dockstring actively in another project called poli, and I've been keeping tabs on getting -11.9 exactly on the Risperidone example. Today, my CI complained about the value being -11.8.

Institute of Technology, Resource and Energy-Efficient Engineering (TREE), University of Applied Sciences Bonn-Rhein-Sieg, 53757 Sankt Augustin, Germany Department of Electrical Engineering, ...

De novo design seeks to generate molecules with required property profiles by virtual design-make-test cycles. With the emergence of deep learning and neural generative models in many application ...