Latest

• Quantum Annealing Designs Nonhemolytic Antimicrobial Peptides in a Discrete Latent Space
• Understanding Chemical Processes with Entropic Sampling
• Automatic Rietveld refinement by robotic process automation with RIETAN-FP
• QCforever: A Quantum Chemistry Wrapper for Everyone to Use in Black-Box Optimization
• Bayesian optimization package: PHYSBO
• Understanding the evolution of a de novo molecule generator via characteristic functional group monitoring
• Continuous black-box optimization with an Ising machine and random subspace coding
• Self-learning entropic population annealing for interpretable materials design
• De novo creation of a naked eye–detectable fluorescent molecule based on quantum chemical computation and machine learning
• Integrating Incompatible Assay Data Sets with Deep Preference Learning