Pinned Repositories
bbmrun
Universal black box model runner
dimer
DIMER algorithm for reaction path optimization
fire
FIRE: fast inertial relaxation engine algorithm
gosh
Rusty framework for multiscale/multilevel modeling
gosh-core
A meta package for managing shared dependencies
gosh-database
Database for gosh
gosh-model
Chemical models for gosh
gosh-optim
Geometry Optimization of Molecule
gosh-runner
Run remote programs in parallel for computational chemistry.
neb
Nudged-Elastic Band (NEB) implemented in Rust
gosh's Repositories
gosh-rs/gosh
Rusty framework for multiscale/multilevel modeling
gosh-rs/dimer
DIMER algorithm for reaction path optimization
gosh-rs/fire
FIRE: fast inertial relaxation engine algorithm
gosh-rs/neb
Nudged-Elastic Band (NEB) implemented in Rust
gosh-rs/bbmrun
Universal black box model runner
gosh-rs/gosh-core
A meta package for managing shared dependencies
gosh-rs/gosh-database
Database for gosh
gosh-rs/gosh-ipi
gosh-rs/gosh-model
Chemical models for gosh
gosh-rs/gosh-optim
Geometry Optimization of Molecule
gosh-rs/gosh-runner
Run remote programs in parallel for computational chemistry.
gosh-rs/gosh-adaptor
Adaptors for computational chemistry software packages
gosh-rs/gosh-remote
Distributed parallel computing across multiple nodes
gosh-rs/gosh-repl
A REPL framework for gosh project