README.md

metadata

title: Flare
emoji: 🌍
colorFrom: green
colorTo: blue
sdk: streamlit
pinned: false
python_version: 3.11.7

Check out the configuration reference at https://huggingface.co/docs/hub/spaces-config-reference

FILIP-MS

FILIP contrastive learning for metabolite annotation

Magma preprocessing

python run_magma.py --data_pth '/r/hassounlab/spectra_data/msgym/MassSpecGym.tsv' --output_dir '/data/yzhouc01/FILIP-MS/data/magma/' --workers 50

test candidates

python run_fragmentation_only.py --d '/r/hassounlab/spectra_data/msgym/MassSpecGym.tsv' -c '/r/hassounlab/spectra_data/msgym/molecules/MassSpecGym_retrieval_candidates_mass.json' -o '/data/yzhouc01/FILIP-MS/data/msgym_mass_cands.pkl' -w 50