ModelsSelected
Molecular Heart simulates 100k atoms on a single GPU
一张GPU跑10万原子！分子之心用AI把化学反应“拍”成了电影
Why we picked it
For researchers in chemistry and materials science, this model offers a significant speedup for molecular dynamics simulations, potentially accelerating drug discovery and material development.
Molecular Heart, a new model from QbitAI, can simulate 100,000 atoms on a single GPU, boosting reaction simulation speed by 100,000x. It achieved a benchmark result of 0.018 milliseconds per step on the QM9 dataset.
Original · 量子位
一张GPU跑10万原子！分子之心用AI把化学反应“拍”成了电影
打破分子模拟“不可能三角”
