Over 1,700 malicious packages since Jan 2025 fuel cross-ecosystem supply chain attacks, enabling espionage and financial ...
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, ...
The field of machine learning for drug discovery is witnessing an explosion of novel methods. These methods are often benchmarked on simple physicochemical properties such as solubility or general ...
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 ...
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