amir-tagh

Hello Cedric, Thanks a lot for your help. I just trimmed done the code just to the second block. I should mention that I am running this on an "RNA"...

Thanks, I used the snippet for overwriting the parameters but couldn't get the stacking interactions. I will try changing the distance parameters see if I can get it. Thanks for...

Hello Fabrice, Thanks for your help, I changed it as you said, now I am getting the following error: Error: Unable to access jarfile lib/rnartist-1.0.jar Best, Amir

Hello, I have some small molecules which interact with a rather high binding affinity toward my protein. I was wondering if I could use MolDQN to optimize these compounds and...

Hello Alice, Thanks a lot for your reply. I have identified three compounds through experiments which can interact with an RNA molecule in a specific way. In order to find...

Hello Alice, Thanks a lot for your help. Best, Amir On Sun, Nov 28, 2021 at 2:58 PM Alice Capecchi ***@***.***> wrote: > Hi Amir, > > You cannot do...

Thanks.

Thanks for your response. I have a set of smiles which I am working on, extracting the substructures is done successfully but the second step is giving the following error:...

Thanks a lot for your help. Now I am at the third step "Train graph generation model" and I am getting the following error. I googled the error but couldnt...

but I have the nvidia gpu? NVIDIA-SMI 470.129.06 Driver Version: 470.129.06 CUDA Version: 11.4 | |-------------------------------+----------------------+----------------------+ | GPU Name Persistence-M| Bus-Id Disp.A | Volatile Uncorr. ECC | | Fan Temp...