Neural Network Reparametrization for Accelerated Optimization in Molecular Simulations. - Nima Dehmamy; Csaba Both; Jeet Mohapatra; Subhro Das; Tommi Jaakkola (NeurIPS, 2024)

Data Distillation for extrapolative protein design through exact preference optimization. - Mostafa Karimi; Sharmi Banerjee; Tommi Jaakkola; Bella Dubrov; Shang Shang; Ron Benson (ICLR, 2025)