arXiv:2604.21937v1 Announce Type: new Abstract: Computational drug discovery, particularly the complex workflows of drug molecule screening and optimization, requires
arXiv:2604.08575v1 Announce Type: cross Abstract: Molecular generative models must jointly ensure validity, diversity, and property control, yet existing approaches typically
arXiv:2605.15243v1 Announce Type: cross Abstract: When reliable target structures are unavailable at scale or phenotypes arise from dysregulated pathways, transcriptomic
arXiv:2605.15461v1 Announce Type: cross Abstract: Building state-of-the-art (SOTA) predictive models for drug discovery requires expensive search over tools, architectures, and
arXiv:2603.27195v1 Announce Type: new Abstract: Designing microstructures that satisfy coupled cross-physics objectives is a fundamental challenge in material science. This
arXiv:2606.17077v1 Announce Type: cross Abstract: Proton dissociation constants (pKa) are critical for functional molecule discovery and molecular modeling. Building on iBonD, the
arXiv:2609.13519v1 Announce Type: new Abstract: Molecular design is most effective when generation mirrors the edits chemists actually make: extending a scaffold, replacing a
arXiv:2603.28015v1 Announce Type: new Abstract: Deep learning models for drug-like molecules and proteins overwhelmingly reuse transformer architectures designed for natural
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