croshong
croshong
I have another really basic question I'm now following the tutorial script with tensorflow as in https://gnina.github.io/libmolgrid/tutorials/train_basic_CNN_with_Tensorflow.html This script runs without any problem It seems that with a result of...
Hi I'm now trying to reproduce the fine tuning model for peptide MHC model Ithe example in readme shows the following script command line for fine tuning peptide-MHC full model...
Hi I tried to install gnina from source after cmake is done I got error like below [ 87%] Building CXX object gninasrc/CMakeFiles/gnina.dir/main/main.cpp.o [ 88%] Linking CUDA device code CMakeFiles/gnina.dir/cmake_device_link.o...
I'm now trying to reproduce 3D-cnn result with keras/tensorflow using cross dock dataset can I regard the example code in https://gnina.github.io/libmolgrid/tutorials/train_basic_CNN_with_Tensorflow.html as def2017 model generation? If it's true, to make...
I'm trying to install libmolgrid in fresh environment after typing cmake when I type make, I got following error [ 60%] Building CXX object python/CMakeFiles/molgrid.dir/bindings_grids.cpp.o In file included from /lwork01/miniconda3/envs/py39/lib/python3.9/site-packages/numpy/core/include/numpy/ndarraytypes.h:4,...
I have a question related to balancing and stratify_receptor. When I train a model with default2018, It does not have any problem, But when I tried to train a model...
Hi my name is jong hui hong while I'm trying to train 3d CNN with my data, I got problem with grid box size because my ligand was too big....
Hi My name is Jong hui Hong. Recently I'm trying to graft cdr loops from one structure to another. while I'm trying to do that, I found that rosetta has...
Hi all I'm now trying to label CDR in my antibody structure using identify_cdr_cluster command in rosetta I heard that Pyigclassify2 database can be used in rosetta and to use...