Boltzina: Efficient and Accurate Virtual Screening via Docking-Guided Binding Prediction with Boltz-2

arXiv:2508.17555 · q-bio.BM, cs.CE, cs.LG, q-bio.QM · Submitted 2025-08-24 · Read on arXiv

q-bio.BM, cs.CE, cs.LG, q-bio.QM

Submitted: 2025-08-24

Updated: 2025-08-24

Journal ref: Proceedings of AI4Mat Workshop on NeurIPS 2025, https://openreview.net/forum?id=OwtEQsd2hN

Code: https://github.com/ohuelab/boltzina

License: http://arxiv.org/licenses/nonexclusive-distrib/1.0/

Terminology

• AUC — 36× in this paper · explained in 2 episodes
• Accuracy — 34× in this paper · explained in 1 episode
• Average Precision — 6× in this paper
• Latent Representation — 3× in this paper · explained in 2 episodes
• Benchmark — 2× in this paper · explained in 2 episodes
• Computational Biology — 2× in this paper · explained in 2 episodes
• Core — 2× in this paper · explained in 2 episodes
• Generalization — 2× in this paper · explained in 13 episodes
• Benchmarking — 1× in this paper · explained in 3 episodes
• Diffusion Model — 1× in this paper · explained in 8 episodes
• Diffusion Process — 1× in this paper · explained in 2 episodes
• Latent Representations — 1× in this paper · explained in 3 episodes
• Representation Learning — 1× in this paper · explained in 2 episodes

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