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Datasets:
Xu-AI4Science
/
fragscape-data
Like
0
Tasks:
Feature Extraction
Tags:
mass-spectrometry
molecular-structure-elucidation
cheminformatics
License:
mit
Dataset card
Files
Files and versions
xet
Community
main
fragscape-data
7.48 GB
Ctrl+K
Ctrl+K
1 contributor
History:
25 commits
Xu-AI4Science
Archive the motif-era splits, vocabularies and atom-diffusion checkpoint
1ba1161
verified
4 days ago
cache
Upload folder using huggingface_hub
28 days ago
cands
Archive cands
4 days ago
checkpoints
Upload folder using huggingface_hub
28 days ago
corpus
Add BPE corpus v2 (per-benchmark exclusion, 5,492,344 SMILES, sha256 4b839f78…)
about 1 month ago
coverage
Upload coverage/coverage_canopus.json with huggingface_hub
about 1 month ago
decoys
Archive decoys
4 days ago
logs
Archive logs
4 days ago
mols
Archive mols/formula_corpus.tsv.gz
4 days ago
motif
Archive the motif-era splits, vocabularies and atom-diffusion checkpoint
4 days ago
results
Archive results
4 days ago
vocab
Upload folder using huggingface_hub
28 days ago
.gitattributes
Safe
3.15 kB
Archive decoys
4 days ago
MANIFEST.json
Safe
5.26 kB
Upload MANIFEST.json with huggingface_hub
28 days ago
README.md
Safe
4.91 kB
Archive README.md
4 days ago
