SamuelGong

analyzing error using tutorial.tgz

3

In workdir/tutorial directory, I successfully run 'bash runall.sh' and got tutorial.tgz. However, when running 'analyze_results.py --input tutorial.tgz --units kcal --output_uncompress_directory tutorial_temp --center_molecule=FXR_12', following error appeared, please help to solve: ```...

Hi, I am wondering if such mutation prediction work on protein complex. Since it requires a msa file, I guess it only works on monomer, is it? Is it possible...

Is it possible to install dockey into a conda environment?

1

Nice work ! As the title, is it possible to install dockey into a conda environment ? Or current installation must use system libraries?

Great work! @guanjq a couple of questions: 1) in provided training.yml, the ligand_atom_mode is "add_aromatic" and random_rot "False". Are these settings of the provided pretrained model? 2) Have you tried...