spyda90
spyda90
Hi, I was trying the code for the first time in order to predict 3D structure of my target protein using a pre-trained model. Everything was fine until running convert_to_tfrecord.py....
Hi, I am trying to run `chemprop train` like as follow: `chemprop train --data-path $Database --task-type regression --config-path ./hyperopt/hyperopt_pizza/best_params.json --output-dir ./train/train_hyperopt_100iter_ensemble5_k-fold10 --metrics rmse r2 --data-seed 0 --features-generators morgan_binary --no-descriptor-scaling --ensemble-size...
Hi, I am using ChempropV2 for the first time. I'd like to re-run model hpopt and training that I have done using V1. Thus, I have update my launching script...
Hi, Thank you for developing NeuralPlexer. We ran our first attempts on a very challenging protein and we obtained promising results, most of all very different from the (useless) ones...