4 posts tagged with force-fields.
Summary of Liu et al.'s ICLR 2025 paper introducing DenoiseVAE, a novel pre-training framework that learns molecule-adaptive and atom-specific noise …
Summary of Bigi et al.'s 2025 paper that critically evaluates the trend of using non-conservative force models in atomistic machine learning, …
Summary of Fu et al.'s 2025 paper that bridges the gap between test-set accuracy and downstream task performance for MLIPs by proposing energy …
Build GROMACS workflows for simulating mini-proteins across multiple amino acids. Generate diverse MD trajectories for machine learning.