The pretrained chembl model has been provided which is really helpful. But to generate the new lead compounds, similar to that shown in step 4 in molecular translation procedure by using translate.py script. it requires a binary file but the pretrained chembl checkpoint provide is in ckpt format.
In molecular generation procedure the step 4, suggests to sample the molecules from the model checkpoint which does take an ckpt file. this doesnt generate any new compounds similar to translate.py.
How do i generate new compounds using the chembl model.ckpt file.
Help would be really appreciated.
Hi Everyone,
The pretrained chembl model has been provided which is really helpful. But to generate the new lead compounds, similar to that shown in step 4 in molecular translation procedure by using translate.py script. it requires a binary file but the pretrained chembl checkpoint provide is in ckpt format. In molecular generation procedure the step 4, suggests to sample the molecules from the model checkpoint which does take an ckpt file. this doesnt generate any new compounds similar to translate.py. How do i generate new compounds using the chembl model.ckpt file. Help would be really appreciated.
Thank you