Closed pechersky closed 7 years ago
The new files allow a user to skip preprocessing SMILES string output. Instead, the one-hot-matrices are generated on the fly.
This also allows less memory-heavy training (train_gen.py) and sampling (sample_gen.py), which addresses #35.
train_gen.py
sample_gen.py
The new files allow a user to skip preprocessing SMILES string output. Instead, the one-hot-matrices are generated on the fly.
This also allows less memory-heavy training (
train_gen.py) and sampling (sample_gen.py), which addresses #35.