2 results found Sort:

snurr-group
gRASPA snurr-group
7
45
mit
2
GPU Monte Carlo Simulation Code with a taste of RASPA
cpp gpu cuda sycl adsorption monte-carlo porous-materials classical-simulation metal-organic-frameworks machine-learning-potential
Created 2023-04-18
495 commits to main branch, last one 3 days ago
kjappelbaum
mofdscribe kjappelbaum
7
44
mit
4
An ecosystem for digital reticular chemistry
ml mof metrics benchmark splitting descriptors data-science featurization hacktoberfest machine-learning porous-materials reticular-chemistry artificial-intelligence metal-organic-frameworks
Created 2022-03-18
528 commits to main branch, last one 4 months ago