The Material and Process Simulation Center (MSC) | Caltech
Change the repository type filter
All
Repositories list
11 repositories
dreid-pack
PublicA high-performance, pure Rust library for full-atom protein side-chain packing using the DREIDING force field, Goldstein+Split DEE, and tree-decomposition DP—wi…dreid-pack-guide
Publicdreid-forge
PublicA high-performance, pure Rust library for automated DREIDING force field parameterization. It orchestrates structure repair, topology perception, and partial at…dreid-kernel
PublicA high-performance, no-std Rust library providing the pure mathematical primitives for the DREIDING force field. It implements stateless, scalar energy and deri….github
Publicscreampp
Public archivecheq
PublicA high-performance, pure Rust library for calculating dynamic partial atomic charges using the Charge Equilibration (QEq) method, applicable to any molecular sy…site-next
Publicdreid-typer
PublicA high-performance, pure Rust library for assigning DREIDING atom types and perceiving molecular topologies, including bonds, angles, and a critical distinction…site
Public archivelammps
Public
ProTip! When viewing an organization's repositories, you can use the
props. filter to filter by custom property.