anny0316

Hello, thank you very much for sharing the code. But, I have a question in line 525 of ppo1.pposgd_simple_gcn.py, passing the parameter pi to the function traj_segment_generator. However, I think...

is '#Predict stop' in jtnn_dec.py topological prediction?

2

Hello WenGong： is '#Predict stop' in jtnn_dec.py topological prediction of this article? Meanwhile, In mpn.py: ATOM_FDIM = len(ELEM_LIST) + 6 + 5 + 4 + 1 BOND_FDIM = 5 +...

In supervised_train.py, why to pad features with zero vector? "if not features is None: # pad with dummy zero vector features = np.vstack([features, np.zeros((features.shape[1],))])"

The appearance of full nan

4

Hello Ryan-Rhys, Thanks for you code. I am interested with FlowMo. When I run Gaussian_Process_String_Kernel.ipynb, nan is appeared. I found that the problem is in this sentence: k_results = tf.divide(k_results,...

Thank you for your code. I want to retrain my own pre-trained model，what should I do? Can you give me a case? thanks.

没有图片 img_align_celeba/*.jpg

1

苏老师：您好! img_align_celeba/*.jpg 这些图片能公开吗？我的QQ：[email protected] ，非常感谢。

FAILED TO CORRESPOND

4

Hello booth: When I run "lsfm -i ./test -o ./out", An error occurred: FAILED TO CORRESPOND: 'LandmarkGroup' object has no attribute 'from_mask'. What's wrong, Please give me some tips. Thanks....

The generative graph is very strange when WGAN-Lambda = 0.0

2

Hello, Thank you for your code. But when I run main_gan and I set WGAN-Lambda = 0.0, the model can't generate a molecular graph, but some strange graphs. What's wrong...

Hello, the great work. I want to know how to generate the electron density map? Can you give me some help? thanks a lot.

Hello, great work. now, I want to convert SMILES to 3D Cartesian coordinates. By reading Alchemy paper I got the following ideas. The idea is to complete the conversion of...