5 projects
deeprep
DPDispatcher REciPe for the Dataset PREParation of DeepTB.
EMolES
A repo to calculate the electronic structures of electrolyte molecules.
combinemols3d
Combine 2 molecules in 3D by sample.
AutoSteper
Automated Stepwise Addition Procedure for Extrafullerene.
dflow-refiner
Dflow OP library to integrate multi-calculators for high-throughput molecule screening.
