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Hi, I created a docker container to run and install all dependencies needed to run this project. I updated the readme at the root of the project see **Alternative Install...

although the code natively supports the gdb13 dataset, choosing it as the dataset option in the code raises an exception after a few iterations. it raises an error on molecule...

Hi, Just wondering what the function load_conditional() does in gym_molecule/envs/molecule.py. Sorry I'm very new in this field. Thanks. Cheers, Lesley

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...

Hi, I am trying to run this model on new dataset. I know one of the data file I have to give as input is SMILES as by default is...

Hello, thanks you for sharing your code. I am very interested in your model but there is no way to make it working. I have fixed a lot of bugs...

read your paper, i am interested in the thoughts,but when i deploy the project ,i met too many problems , the first command i got the problem ,so can you...

How long will it take for this command `mpirun -np 8 python run_molecule.py 2>/dev/null` to terminate? It is running on my machine for more than 2 days. I am running...

I needed this for the code to work. YMMV.

Hello The code has many bugs. Can you tell me the Python version and the packages you used?