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- gpuma Public
Minimalistic geometry optimizer for molecules using the UMA MLIP models. Allows for single structure and batch optimization, both sequential and in parallel batches on GPUs.
GloriusGroup/gpuma’s past year of commit activity - PAYN Public
PAYN: Positivity is All You Need: Framework for augmentation of reliable negatives from biased organic datasets.
GloriusGroup/PAYN’s past year of commit activity
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