Genarris is an open source Python package for generating random molecular crystal structures with physical constraints for seeding crystal structure prediction algorithms and training machine learning

DataCite Commons2025-05-01 更新140

Pub1-PRE experimental data.zip

RNA识别基序

分子建模

Structure Ensemble of the First Two RNA Recognition Motif Domains of a Poly(U) Binding Protein from Paramagnetic Relaxation Enhancement and Molecular Simulation Guan

DataCite Commons2020-09-04 更新30

Gaussian Job Archive for C12H11NO2S2

量子化学计算

分子建模

Archive of work produced using the resources of the Imperial College High Performance Computing Service.

NIAID Data Ecosystem20