OpenFE 1.3.0beta example results files
收藏NIAID Data Ecosystem2026-05-02 收录
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资源简介：
Relative free energy of a TYK2 benchmark system transformation using a beta release of OpenFE 1.3.0. Positions are written to file (simulation.nc) once every 100 frames, and velocities are never written.
创建时间：
2025-01-23
