DrugGEN

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## Description: This pull request addresses a minor but crucial update in the training_data.py file. The load_molecules function previously took an argument named batch, which could be misleading and did...

SaShukla090

This PR is a work in progress

osbm

Tensor Shape Issues

10

I've trained a model on the 'Ligand' submodel variation successfully. When running the model to create an output of SMILES I came across this error related to the the tensor...

ollierodrigues

Training Model

1

When going through the instructions on the README page, I came across a TypeError after this input: python DrugGEN/main.py --submodel="CrossLoss" --mode="train" --raw_file="DrugGEN/data/chembl_train.smi" --dataset_file="chembl45_train.pt" --drug_raw_file="DrugGEN/data/akt_train.smi" --drug_dataset_file="drugs_train.pt" --max_atom=45 The TypeError was related...

ollierodrigues

Installing build dependencies ... done Getting requirements to build wheel ... error error: subprocess-exited-with-error × Getting requirements to build wheel did not run successfully. │ exit code: 1 ╰─> [416...

pritam0070

AttributeError: 'NoneType' object has no attribute 'GetNumAtoms'

1

In this file, I am getting the following error. Could you please help on this. "DrugGEN/new_dataloader.py", line 51, in _generate_encoders_decoders molecule_size = mol.GetNumAtoms() ^^^^^^^^^^^^^^^ AttributeError: 'NoneType' object has no attribute...

Varat7v2