GitHub - haidnguyen0909/toxic21_nfp_edge

Name		Name	Last commit message	Last commit date
Latest commit History 1 Commits
.idea		.idea
result		result
load_data_ecfp.py		load_data_ecfp.py
model.model		model.model
model.npz		model.npz
model2.py		model2.py
plot.py		plot.py
tox21_10k_challenge_test.sdf		tox21_10k_challenge_test.sdf
tox21_10k_data_all.sdf		tox21_10k_data_all.sdf
train.py		train.py
train_vnfp.py		train_vnfp.py
variational_test_2x100nfp_3x100mlp_acc		variational_test_2x100nfp_3x100mlp_acc
variational_test_2x100nfp_3x100mlp_kl		variational_test_2x100nfp_3x100mlp_kl
variational_test_2x100nfp_3x100mlp_rec		variational_test_2x100nfp_3x100mlp_rec
variational_train_2x100nfp_3x100mlp_kl		variational_train_2x100nfp_3x100mlp_kl
variational_train_2x100nfp_3x100mlp_loss		variational_train_2x100nfp_3x100mlp_loss
variational_train_2x100nfp_3x100mlp_rec		variational_train_2x100nfp_3x100mlp_rec
variational_valid_2x100nfp_3x100mlp_kl		variational_valid_2x100nfp_3x100mlp_kl
variational_valid_2x100nfp_3x100mlp_loss		variational_valid_2x100nfp_3x100mlp_loss
variational_valid_2x100nfp_3x100mlp_rec		variational_valid_2x100nfp_3x100mlp_rec