AITW-viscosity¶

AI-TranspWood - AiiDA workchain to compute the shear viscosity of molecular liquids, starting from a SMILES string of a molecule and using GROMACS to perform the molecular dynamics simulations.

homepage: https://www.ai-transpwood-project.eu/

Available installations¶

AITW-viscosity version	Supported CPU targets	Supported GPU targets	EESSI version	Module
1.0.0	`generic`: `aarch64`, `x86_64` Arm: `a64fx`, `neoverse_n1`, `neoverse_v1`, `nvidia/grace` AMD: `zen2`, `zen3`, `zen4` Intel: `haswell`, `skylake_avx512`, `sapphirerapids`, `icelake`, `cascadelake`	(none)	2023.06	`AITW-viscosity/1.0.0-foss-2023a`

Extensions¶

Overview of extensions included in AITW-viscosity installations

AITW-viscosity¶

`AITW-viscosity` version	AITW-viscosity modules that include it
1.0.0	`AITW-viscosity/1.0.0-foss-2023a`

textual¶

`textual` version	AITW-viscosity modules that include it
0.61.0	`AITW-viscosity/1.0.0-foss-2023a`

trogon¶

`trogon` version	AITW-viscosity modules that include it
0.6.0	`AITW-viscosity/1.0.0-foss-2023a`