Adapting Boltz-2 with limited experimental activity data improves early enrichment in virtual screening

arXiv:2609.24302 · q-bio.BM, cs.AI, cs.LG, q-bio.QM · Submitted 2026-09-21 · Read on arXiv

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

Submitted: 2026-09-21

Updated: 2026-09-21

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

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

Terminology

• Fine-Tuning — 57× in this paper · explained in 5 episodes
• Accuracy — 2× in this paper · explained in 1 episode
• Benchmark — 2× in this paper · explained in 2 episodes
• Embeddings — 2× in this paper · explained in 2 episodes
• Foundation Model — 2× in this paper · explained in 3 episodes
• Regularization — 2× in this paper · explained in 3 episodes
• Adaptation — 1× in this paper · explained in 1 episode
• Aggregation — 1× in this paper · explained in 1 episode
• Alignment — 1× in this paper · explained in 1 episode
• Foundation Models — 1× in this paper · explained in 7 episodes
• Meta-learning — 1× in this paper · explained in 2 episodes
• Representation Learning — 1× in this paper · explained in 2 episodes
• Transfer Learning — 1× in this paper · explained in 10 episodes

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