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Pas Computational Chemistry Group

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crest-mlip-experimental crest-mlip-experimental Public

Forked from pprcht/crest

A new trial of CREST-MLIP for workflow of conformational optimisation via MACE-OMOL-0 screening + GFN2-xTB/ALPB finetuning

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crest-mlip-experimental Public Forked from pprcht/crest
A new trial of CREST-MLIP for workflow of conformational optimisation via MACE-OMOL-0 screening + GFN2-xTB/ALPB finetuning

pas-ccg/crest-mlip-experimental's past year of commit activity

Fortran 0 LGPL-3.0 77 0 0 Updated Oct 8, 2026

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