graph generative model for molecule
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Update README.md
69960c8
aa1eb7d
8994483
Update {.,data}/README.md
2b37ce4
86a8e2e
Fix condition dimension error
0171adc
Change sample.py to save all generations
f052505
isomer part is modified
15f53d4
Remove data/*/*.pkl
f3d3ceb
data_egfr -> data
ab17327
bug fix for making graph
7285a3d
Recover the STOCK training/test subsets
5dfa821
Add validity checks in `sample.py`
51f19e1
Fix a code erratum
34caed5
Add more sample validations
256df5c