conftrace_

protein folding

4 papers

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Co-occurring keywords

molecular simulation (5) variational formulation (6) automated machine learning (94) contact map prediction (3) domain-specific model (25) doob h-transform (5) graph neural network (3962) neural network (6616) rare event simulation (4) protein contact map (1)

Papers

Doob's Lagrangian: A Sample-Efficient Variational Approach to Transition Path Sampling NIPS 2024
Neural Network Reparametrization for Accelerated Optimization in Molecular Simulations NIPS 2024
Contact-Distil: Boosting Low Homologous Protein Contact Map Prediction by Self-Supervised Distillation AAAI 2022
Rethinking Neural Operations for Diverse Tasks NIPS 2021