Commit [58db57] main

Initial commit

Amanda-D Amanda-D 2025-04-19

1 2 > >> (Page 1 of 2)
added .gitignore
added LICENSE
added README.md
added datasets/CHEMBL25_TEST_MOLS.h5
added datasets/CHEMBL25_TRAIN_MOLS.h5
added datasets/DRD2_TEST_MOLS.h5
added datasets/DRD2_TRAIN_MOLS.h5
added datasets/DRD2_VALID_MOLS.h5
added datasets/README.md
added ddc_pub/__init__.py
added ddc_pub/custom_callbacks.py
added ddc_pub/ddc_v3.py
added ddc_pub/ddc_v3_unbiased.py
added ddc_pub/generators.py
added ddc_pub/vectorizers.py
added demo_cRNN.ipynb
added demo_heteroencoder.ipynb
added figures/model.png
added models/README.md
added models/fpb_model.zip
added models/heteroencoder_model.zip
added models/pcb_model.zip
added models/prior_model.zip
added models/qsar_model.pickle
added models/tl_model.zip
.gitignore Diff Switch to side-by-side view
Loading...
LICENSE Diff Switch to side-by-side view
Loading...
README.md Diff Switch to side-by-side view
Loading...
datasets/CHEMBL25_TEST_MOLS.h5
Binary file was added.
datasets/CHEMBL25_TRAIN_MOLS.h5
Binary file was added.
datasets/DRD2_TEST_MOLS.h5
Binary file was added.
datasets/DRD2_TRAIN_MOLS.h5
Binary file was added.
datasets/DRD2_VALID_MOLS.h5
Binary file was added.
datasets/README.md Diff Switch to side-by-side view
Loading...
ddc_pub/__init__.py Diff Switch to side-by-side view
Loading...
ddc_pub/custom_callbacks.py Diff Switch to side-by-side view
Loading...
ddc_pub/ddc_v3.py Diff Switch to side-by-side view
Loading...
ddc_pub/ddc_v3_unbiased.py Diff Switch to side-by-side view
Loading...
ddc_pub/generators.py Diff Switch to side-by-side view
Loading...
ddc_pub/vectorizers.py Diff Switch to side-by-side view
Loading...
demo_cRNN.ipynb Diff Switch to side-by-side view
Loading...
demo_heteroencoder.ipynb Diff Switch to side-by-side view
Loading...
figures/model.png
Binary file was added.
models/README.md Diff Switch to side-by-side view
Loading...
models/fpb_model.zip
Binary file was added.
models/heteroencoder_model.zip
Binary file was added.
models/pcb_model.zip
Binary file was added.
models/prior_model.zip
Binary file was added.
models/qsar_model.pickle
Binary file was added.
models/tl_model.zip
Binary file was added.
1 2 > >> (Page 1 of 2)