conftrace_

scaffold hopping

2 papers

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Co-occurring keywords · papers mentioning both

3d structure-based drug design (1) backward correction (1) molecule design (1) se(3) equivariance (1) sliding window (1) gradient guidance (1) molecular generation (1) drug discovery (1) consistency model (1) bayesian inference (1)

Papers

Empower Structure-Based Molecule Optimization with Gradient Guided Bayesian Flow Networks ICML 2025 TurboHopp: Accelerated Molecule Scaffold Hopping with Consistency Models NeurIPS 2024