Loading moldyn_example/conv_vae.pbs +1 −1 Original line number Diff line number Diff line Loading @@ -25,7 +25,7 @@ export PYTHONPATH=/ccs/home/iamshang/crossbow/crossbow:$PYTHONPATH cd ${HOME}/crossbow/moldyn_example/scripts/ if [ ! -f 1FME-0_contact_matrix.npy ]; then python dcd2array.py ${HOME}/1fme-0 python dcd2array.py ${HOME}/1fme-0 1:29 fi python conv_vae.py 1FME-0_contact_matrix.npy Loading moldyn_example/scripts/dcd2array.py +1 −1 Original line number Diff line number Diff line Loading @@ -23,7 +23,7 @@ if not os.path.exists('./results'): files = glob.glob(dcd_path+'*-protein-*.dcd') n = len(files) dataset_name = os.path.basename(files[0]).split('-protein-')[0] file_basename = os.path.basename(files[0])[:-8] file_basename = os.path.basename(files[0])[:-7] # process dcd files k = 0 Loading Loading
moldyn_example/conv_vae.pbs +1 −1 Original line number Diff line number Diff line Loading @@ -25,7 +25,7 @@ export PYTHONPATH=/ccs/home/iamshang/crossbow/crossbow:$PYTHONPATH cd ${HOME}/crossbow/moldyn_example/scripts/ if [ ! -f 1FME-0_contact_matrix.npy ]; then python dcd2array.py ${HOME}/1fme-0 python dcd2array.py ${HOME}/1fme-0 1:29 fi python conv_vae.py 1FME-0_contact_matrix.npy Loading
moldyn_example/scripts/dcd2array.py +1 −1 Original line number Diff line number Diff line Loading @@ -23,7 +23,7 @@ if not os.path.exists('./results'): files = glob.glob(dcd_path+'*-protein-*.dcd') n = len(files) dataset_name = os.path.basename(files[0]).split('-protein-')[0] file_basename = os.path.basename(files[0])[:-8] file_basename = os.path.basename(files[0])[:-7] # process dcd files k = 0 Loading