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c-plus-plus
|
| Package |
Description |
Version |
|
gromacs
☆
formula
|
Versatile package for molecular dynamics calculations |
|
|
kim-api
☆
formula
|
Knowledgebase of Interatomic Models (KIM) API |
|
|
lammps
☆
formula
|
Molecular Dynamics Simulator |
20250722-update6 |
|
maeparser
☆
formula
|
Maestro file parser |
|
|
nwchem
☆
formula
|
High-performance computational chemistry tools |
7.3.1 |
|
ovito
☆
cask
|
Scientific data visualization and analysis software |
3.16.1 |
|
ovito-pro
☆
cask
|
Scientific data visualization and analysis software |
3.16.1 |
|
packmol
☆
formula
|
Packing optimization for molecular dynamics simulations |
21.1.4 |
|
votca
☆
formula
|
Versatile Object-oriented Toolkit for Coarse-graining Applications |
2025.1 |