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kjappelbaum / mofdscribe

An ecosystem for digital reticular chemistry
https://mofdscribe.readthedocs.io/en/latest/
MIT License
43 stars 7 forks source link

add moftransformer to leaderboard #417

Open kjappelbaum opened 1 year ago

kjappelbaum commented 1 year ago

demo.ipynb.zip

kjappelbaum commented 1 year ago

perhaps, in first approximation, ignore data leakage from pre-training and hyperopt. This will be overly optimistic, but a starting point.