Dmitriy Gorovoy

results of G2G don't match the article

2

Training the model G2G center identification on 50 epochs and synthon completion on 10 epochs with task = tasks.Retrosynthesis(reaction_task, synthon_task, center_topk=3, num_synthon_beam=10, max_prediction=20). and all the other parameters are as...

One of the central parts of Retrosynthesis is identifying correct synthons and the difference between synthons and corresponding reactants. Here I got confused with the following reactant (I will atach...

I came up against a weird obstacle: after running the same code for Retrosynthesis prediction task on gpu and cpu (perhaps only versions of certain libraries might have differed) I...

After splitting the initial dataset and working with 1000 molecules I got an error for the Synthon Completion task when taking batch_size=64. The error was in the function _get_offsets in...

### 🚀 The feature, motivation and pitch Hi! I have a question about GNNExplainer feature selection part. In the article it's claimed that in order to solve the potential issue...

Hi! I have a question about feature selection part. In the article claim that you in order to solve the potential issue with importnat features whose values are zeros you...