materialscloud-org / tools-phonon-dispersion

An efficient deterministic solver for phonon BTE

[ICLR 2024] The implementation for the paper "Space Group Constrained Crystal Generation"

#计算机科学#Stable Diffusion web UI

Notes and tutorials on Density Functional Theory calculation using Quantum ESPRESSO.

An HPC workload manager and job scheduler for desktops, clusters, and clouds.

Slurm: A Highly Scalable Workload Manager

[NeurIPS 2023] The implementation for the paper "Crystal Structure Prediction by Joint Equivariant Diffusion"

Heavyweight plotting tools for ab initio calculations

Torque Repository

Easy Docker setup for Stable Diffusion with user-friendly UI

Mirror of the Quantum ESPRESSO repository. Please do not post Issues or pull requests here. Use gitlab.com/QEF/q-e instead.