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merzlab/QUICK
merzlab/QUICK PublicQUICK: A GPU-enabled ab intio quantum chemistry software package
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paesanilab/MBX
paesanilab/MBX PublicMBX is an energy and force calculator for data-driven many-body simulations.
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kappa-SPL2
kappa-SPL2 PublicForked from tjdaas/kappa-SPL2
Continued development to kappa-SPL2 code by Vuckovic and coworkers. Dev for complex NCI systems.
Python
Pinned Loading
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merzlab/QUICK
merzlab/QUICK PublicQUICK: A GPU-enabled ab intio quantum chemistry software package
-
paesanilab/MBX
paesanilab/MBX PublicMBX is an energy and force calculator for data-driven many-body simulations.
-
kappa-SPL2
kappa-SPL2 PublicForked from tjdaas/kappa-SPL2
Continued development to kappa-SPL2 code by Vuckovic and coworkers. Dev for complex NCI systems.
Python
Pinned Loading
-
merzlab/QUICK
merzlab/QUICK PublicQUICK: A GPU-enabled ab intio quantum chemistry software package
-
paesanilab/MBX
paesanilab/MBX PublicMBX is an energy and force calculator for data-driven many-body simulations.
-
kappa-SPL2
kappa-SPL2 PublicForked from tjdaas/kappa-SPL2
Continued development to kappa-SPL2 code by Vuckovic and coworkers. Dev for complex NCI systems.
Python
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