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cascade
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cascade / NMR_Prediction
65.9 MB
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  • 1 contributor
History: 3 commits
bobbypaton
Add 1H model; load correct model per nucleus
b02571a 30 days ago
  • schnet_edgeupdate
    Initial CASCADE HF Space deployment about 1 month ago
  • schnet_edgeupdate_H
    Add 1H model; load correct model per nucleus 30 days ago
  • __init__.py
    0 Bytes
    Initial CASCADE HF Space deployment about 1 month ago
  • apply.py
    9.05 kB
    Initial CASCADE HF Space deployment about 1 month ago
  • genConf.py
    11.1 kB
    Initial CASCADE HF Space deployment about 1 month ago
  • preprocessor.p
    4.56 kB
    xet
    Initial CASCADE HF Space deployment about 1 month ago
  • valid.py
    409 Bytes
    Add 50 heavy atom limit; CASCADE 1.0 version label; iframe headers about 1 month ago