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NexaMass-V3-Struct

Feature Extraction
PyTorch
nexamass
mass-spectrometry
msms
metabolomics
representation-learning
self-supervised-learning
molecular-fingerprints
rdkit
morgan-fingerprints
retrieval
chemistry
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NexaMass-V3-Struct / evaluation
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Allanatrix's picture
Allanatrix
Add MassSpecGym evaluation adapter and safetensors runtime loader (#1)
a916c63