A Python library of algorithms for the baseline correction of experimental data.

Allegro is an open-source code for building highly scalable and accurate equivariant deep learning interatomic potentials

doped is a Python software for the generation, pre-/post-processing and analysis of defect supercell calculations, implementing the defect simulation workflow in an efficient, reproducible, user-fr…

Pretrained universal neural network potential for charge-informed atomistic modeling https://chgnet.lbl.gov

Statistical Mechanics on Lattices

Python Materials Genomics (pymatgen) is a robust materials analysis code that defines classes for structures and molecules with support for many electronic structure codes. It powers the Materials …

gfw_whitelist

Manage and switch between multiple proxies quickly & easily.

One second to read GitHub code with VS Code.

JavaScript 3D Library.