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1b69506b362dce73155851001d700a5e3139661360208bf3b51c3bd8c124c212
Shell
77
1
mpirun -np 64 lmp_mpi -partition 8x8 -in in.scp -log log.lammps -screen none
47918e7e55194b83d0810f97154706aaecc8ea35802d483db2cdc0c5b8caeb2a
Shell
77
3
#!/bin/sh autoreconf --install automake --add-missing --copy >/dev/null 2>&1
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Shell
77
1
python pretrain.py --exp_name 'pre-train' --exp_id 1 --step pretrain --gpu 5
a3067dc3cf0de2178c0c1006d0fe0c2c8531a7f13d09991937a730ae1cd2a961
Shell
78
5
for eachfile in *.bam do echo $eachfile samtools index -@ 20 $eachfile done
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Shell
79
7
#!/usr/bin/env bash pushd statsmodels.github.io echo "Pushing" git push popd
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Shell
80
3
#!/bin/sh tensorboard --logdir=$LOG_DIR --bind_all --path_prefix=$INGRESS_PATH
79da2b3325136c43d546ec11fc957b275baac48a3393c336d4a9d75bca7f8783
Shell
81
6
#!/usr/bin/env bash snakemake -p \ --configfile $1 \ --use-conda \ --cores 2
ac2f27077a94ceeef15a6807088fad3de33268aabfd5108f88bca485dbe0b2a1
Shell
84
2
#!/bin/bash microk8s.ctr images ls | awk {'print $1'} | xargs microk8s.ctr images rm
2d3b40248bbd3b35f97e7945d1266c50cf1424539838086f4fd73dee1fb6bff8
Shell
85
8
#!/bin/sh cd 3rdparty/libvncserver && \ rm -rf \ *examples \ utils \ webclients
1fef210b5d13f3a8ca83947105345b117373c2fd2c2b42dfda12be43c03147ad
Shell
86
1
"${SCHRODINGER}/ligprep" -inp ligprep_p38.inp -HOST localhost:1 -NJOBS 1 -TMPLAUNCHDIR
74a5a91a7b61cdd142d5505bd3cdf39dcd093e9a350270dd96a5523e1db9577a
Shell
86
1
"${SCHRODINGER}/ligprep" -inp ligprep_syk.inp -HOST localhost:1 -NJOBS 1 -TMPLAUNCHDIR
897ef287785f0e4dc99fc1ed445b5fe63c3d49be98734362340e90f8d2e1480c
Shell
86
5
#!/bin/bash make clean sphinx-apidoc --force --separate -o apidoc ../xopto make html
90bd41bbe799d09e21292af102b47e9c24cbcc221973d5d43ed9b6d8538493f3
Shell
86
1
"${SCHRODINGER}/glide" glide-grid_P38-3FLY.in -OVERWRITE -HOST localhost -TMPLAUNCHDIR
e20747d28012b96f15a19a2ecf425fcb57cd09d1dd08da506cd502da3b308b3e
Shell
86
1
"${SCHRODINGER}/ligprep" -inp ligprep_eg5.inp -HOST localhost:1 -NJOBS 1 -TMPLAUNCHDIR
e20bb5c3026fddb68e4e7b4c21fcf6d8fdb22256472cd15ed4d0e0c148e37cce
Shell
86
1
"${SCHRODINGER}/glide" glide-grid_EG5-3L9H.in -OVERWRITE -HOST localhost -TMPLAUNCHDIR
e75cbb566f23731dd2501df6592024f6fc7539d5aaff28635f6936ff8081341b
Shell
86
1
"${SCHRODINGER}/glide" glide-grid_SYK-4PV0.in -OVERWRITE -HOST localhost -TMPLAUNCHDIR
209b5d06ce8880f4c99e73d5c4fe71cadd1fb3bda480bec63b3699da6ce19b36
Shell
87
1
"${SCHRODINGER}/ligprep" -inp ligprep_cmet.inp -HOST localhost:1 -NJOBS 1 -TMPLAUNCHDIR
3e2b8168d6fa980243b865a1d284301dc3de2bf478421248213ff23427a02e38
Shell
87
1
"${SCHRODINGER}/ligprep" -inp ligprep_cdk2.inp -HOST localhost:1 -NJOBS 1 -TMPLAUNCHDIR
625d7f46507e344fe31731343e96df0e5072627c0446fdc24f28ddfd61870953
Shell
87
1
"${SCHRODINGER}/ligprep" -inp ligprep_tyk2.inp -HOST localhost:1 -NJOBS 1 -TMPLAUNCHDIR
6412a6c8b904909c6a8d2428485fbaa084ecf9ee7b6e73a2d7357b4fdc549df7
Shell
87
1
"${SCHRODINGER}/glide" glide-grid_MCL1-4HW3.in -OVERWRITE -HOST localhost -TMPLAUNCHDIR
6492a34c251090204f12c623bbfc214c34202a3425c58d9e693a543a1ace2b57
Shell
87
1
"${SCHRODINGER}/glide" glide-grid_CDK2-1H1Q.in -OVERWRITE -HOST localhost -TMPLAUNCHDIR
67d637d1c697e3372f1c31a6ce2d88a0d799853d8f0a41182c4436b9a18a5126
Shell
87
1
"${SCHRODINGER}/ligprep" -inp ligprep_pde2.inp -HOST localhost:1 -NJOBS 1 -TMPLAUNCHDIR
7a1b6c3e4486146ae63145caeae211db26f8018bb2d73c8999df2aded1d2e452
Shell
87
1
"${SCHRODINGER}/glide" glide-grid_TYK2-4GIH.in -OVERWRITE -HOST localhost -TMPLAUNCHDIR
8b3476cce4c75086549cb2a6aaabc792288899f53c704061ecd5adf81eb61972
Shell
87
1
"${SCHRODINGER}/glide" glide-grid_SHP2-5EHR.in -OVERWRITE -HOST localhost -TMPLAUNCHDIR
945c6329f8c1bdb4397f62afeef0e87e80e2b2cff788bc219533941dce56c044
Shell
87
1
"${SCHRODINGER}/ligprep" -inp ligprep_shp2.inp -HOST localhost:1 -NJOBS 1 -TMPLAUNCHDIR
a070a6459b2db2c90b7082110d0a757cb85693a29c011dea66c6161fdcdea7a0
Shell
87
1
"${SCHRODINGER}/ligprep" -inp ligprep_mcl1.inp -HOST localhost:1 -NJOBS 1 -TMPLAUNCHDIR
bbf885193d7630d2e4883d4669ff879de76c9e2c3655a20141d2a2c805e65431
Shell
87
1
"${SCHRODINGER}/glide" glide-grid_cMET-4R1Y.in -OVERWRITE -HOST localhost -TMPLAUNCHDIR
dbf3ed2a1b6e8aabcea1ffc621e17bfb8d6af0c3cf489858bb0533f22b8d0700
Shell
87
1
"${SCHRODINGER}/glide" glide-grid_CDK8-5HNB.in -OVERWRITE -HOST localhost -TMPLAUNCHDIR
dcc7844652db851eacb4b8e19059f440c7ceae25dfe2996fe5919193b75d603f
Shell
87
1
"${SCHRODINGER}/ligprep" -inp ligprep_jnk1.inp -HOST localhost:1 -NJOBS 1 -TMPLAUNCHDIR
ee39452040b7badbc7c607aded7b782e68c9d9d1dbd3c6654ddaa5fd61a94f23
Shell
87
1
"${SCHRODINGER}/ligprep" -inp ligprep_cdk8.inp -HOST localhost:1 -NJOBS 1 -TMPLAUNCHDIR
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Shell
87
1
"${SCHRODINGER}/glide" glide-grid_PDE2-4D08.in -OVERWRITE -HOST localhost -TMPLAUNCHDIR
158e5d2959722e531e3bad34853500771a5b61950c89b0a0542f193fa16690dc
Shell
88
1
"${SCHRODINGER}/ligprep" -inp ligprep_ptp1b.inp -HOST localhost:1 -NJOBS 1 -TMPLAUNCHDIR
326feda3268f513648c31f61373f213ca111d82c8d0e781af040e3595206f8ad
Shell
88
1
"${SCHRODINGER}/ligprep" -inp ligprep_tnks2.inp -HOST localhost:1 -NJOBS 1 -TMPLAUNCHDIR
538422e3e8747228f10934a93a5b3d2155dc9b2cd7b166fd1111cbe23782377f
Shell
88
1
"${SCHRODINGER}/ligprep" -inp ligprep_hif2a.inp -HOST localhost:1 -NJOBS 1 -TMPLAUNCHDIR
5dd5f9945d245521e4a23fbf4669e6470ebbc40cb5dbab122183d697d08b58bd
Shell
88
1
"${SCHRODINGER}/glide" glide-grid_TNKS2-4UI5.in -OVERWRITE -HOST localhost -TMPLAUNCHDIR
63c40fe09165838624a5f14faa3f74714f07b9685aa6ef50d896c7d555e2732b
Shell
88
1
"${SCHRODINGER}/glide" glide-grid_PTP1B-2QBS.in -OVERWRITE -HOST localhost -TMPLAUNCHDIR
743316c406c870414a23019df53f55e0e4942b339ad394fcec6b8b15ee47809a
Shell
88
1
"${SCHRODINGER}/glide" glide-grid_HIF2a-5TBM.in -OVERWRITE -HOST localhost -TMPLAUNCHDIR
1be515a94be95da748e7482a2931950f07fd6c448d3a9379e52d1b63586b14fe
Shell
89
1
"${SCHRODINGER}/ligprep" -inp ligprep_pfkfb3.inp -HOST localhost:1 -NJOBS 1 -TMPLAUNCHDIR
aa3cd06c36ba641020636c65127fa660e9a00e221537d559beba3fc7b0707114
Shell
89
1
"${SCHRODINGER}/glide" glide-grid_PFKFB3-6HVI.in -OVERWRITE -HOST localhost -TMPLAUNCHDIR
9ce841db7a545485fdd67324a7f74797a435caf887a1f33e76cf0888ae9dc271
Shell
90
5
#!/bin/bash -ef which mne mne sys_info -pd python -c "import numpy; numpy.show_config()"
95719b087dde1787f6ca58c4dfdb24f9bd8a5925d96ba284e26d87dfdb5c2b29
Shell
91
1
"${SCHRODINGER}/glide" glide-grid_galectin-5E89.in -OVERWRITE -HOST localhost -TMPLAUNCHDIR
b25cdc5248110770079d6c9dfbd62fc692d8b1322fedcf8de3c4dbe14bb6c968
Shell
91
1
"${SCHRODINGER}/glide" glide-grid_thrombin-2ZFF.in -OVERWRITE -HOST localhost -TMPLAUNCHDIR
6d1c1097d5418a7edba1257536d0641b7ee8d80662b0dc3aac5e134144fe5c39
Shell
94
1
"${SCHRODINGER}/glide" glide-dock_SP_P38.in -OVERWRITE -adjust -HOST localhost:4 -TMPLAUNCHDIR
9c3b3533d9e82402209c46824c07026d89678258b3f63ea0df96624af531e7ba
Shell
94
1
"${SCHRODINGER}/glide" glide-dock_SP_SYK.in -OVERWRITE -adjust -HOST localhost:4 -TMPLAUNCHDIR
a987aea57611324d5124e9dcf475950669163bef8867c33c1a2097ed496d4a56
Shell
94
1
"${SCHRODINGER}/glide" glide-dock_SP_EG5.in -OVERWRITE -adjust -HOST localhost:4 -TMPLAUNCHDIR
3e2d28293daa20b2e10b6a04e0d453ce1ae6dc5dfd7d30e9fcdf92b7c965cf90
Shell
95
1
"${SCHRODINGER}/glide" glide-dock_SP_CDK8.in -OVERWRITE -adjust -HOST localhost:4 -TMPLAUNCHDIR
4318be180a4a04b0e3d1e3bbdf0cf9c41d8299f3a35f3983a86e7df389109597
Shell
95
8
#!/bin/bash for eachfile in *.bam do echo $eachfile samtools index -@ 20 \ $eachfile done
590cc4e959fd9d4080270cce9c260a597a66f2ad3ee18487b30ab6b96a2381fd
Shell
95
1
"${SCHRODINGER}/glide" glide-dock_SP_TYK2.in -OVERWRITE -adjust -HOST localhost:4 -TMPLAUNCHDIR
9e77e9390682ee9bd18e525c5da82fbfdb7f122dce5c21d0208467c20af7e9e9
Shell
95
1
"${SCHRODINGER}/glide" glide-dock_SP_PDE2.in -OVERWRITE -adjust -HOST localhost:4 -TMPLAUNCHDIR
ce65c24b9c9f37f92e297a9ad4e151cf6887f609ba4463e01d1cd5888085a5c0
Shell
95
1
"${SCHRODINGER}/glide" glide-dock_SP_CDK2.in -OVERWRITE -adjust -HOST localhost:4 -TMPLAUNCHDIR
ddb271b8989f690d021dcf082cb530a2bd19c54fa018ecbd2677975f94611ff7
Shell
95
1
"${SCHRODINGER}/glide" glide-dock_SP_MCL1.in -OVERWRITE -adjust -HOST localhost:4 -TMPLAUNCHDIR
dfa7ade7ac7298d5456e411f026b19df3351a0735f99a568f522f54c4105bc8a
Shell
95
1
"${SCHRODINGER}/glide" glide-dock_SP_SHP2.in -OVERWRITE -adjust -HOST localhost:4 -TMPLAUNCHDIR
ece8e33908d82dce6f42220412614e7f3d58a810e15466fddbe849e9d1355dc9
Shell
95
1
"${SCHRODINGER}/glide" glide-dock_SP_cMET.in -OVERWRITE -adjust -HOST localhost:4 -TMPLAUNCHDIR
05d2158be7402f26c6677560f046a631561df519b8ca0a1ea65b9931343e5f71
Shell
96
1
"${SCHRODINGER}/glide" glide-dock_SP_PTP1B.in -OVERWRITE -adjust -HOST localhost:4 -TMPLAUNCHDIR
bdba80a3f4e88502bf6c33a33a3f20119d64756ff205535fb2b9ba96e954cfca
Shell
96
1
"${SCHRODINGER}/glide" glide-dock_SP_HIF2a.in -OVERWRITE -adjust -HOST localhost:4 -TMPLAUNCHDIR
d96497b0aecb166fa74368d23305fd62d9ccf417e8bc013df86e39fd1ba97a78
Shell
96
1
"${SCHRODINGER}/glide" glide-dock_SP_TNKS2.in -OVERWRITE -adjust -HOST localhost:4 -TMPLAUNCHDIR
c0a30668b83038ebaecad87ccb1c60f679e885373a3113045171bc89d340e185
Shell
97
1
"${SCHRODINGER}/glide" glide-dock_SP_PFKFB3.in -OVERWRITE -adjust -HOST localhost:4 -TMPLAUNCHDIR
f4e2ce2e1703ccce275a35223e746c78fc4938482d9976d26b751ef814ddcc4e
Shell
97
1
git clone https://github.com/GiantElephant123/solid_simulation_data.git deepsolid_simulation_data
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Shell
98
5
#!/bin/bash mkdir build && cd build cmake .. -DCMAKE_INSTALL_PREFIX:PATH=.. make && make install
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Shell
99
2
#### Follow this instruction to install our MLNI package on github https://anbai106.github.io/mlni/
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Shell
99
1
"${SCHRODINGER}/glide" glide-dock_SP_thrombin.in -OVERWRITE -adjust -HOST localhost:4 -TMPLAUNCHDIR
9cebacf80d19e343e6d7d944336c95e065578a50107a8408b63157590c1ad8c4
Shell
100
5
#!/bin/bash set -eu -o pipefail ./init-security.sh & ./opensearch-docker-entrypoint.sh opensearch
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Shell
100
2
set -ex python test.py --dataroot ./datasets/colorization --name color_pix2pix --model colorization
17dadd0cc6cc3082ad5358becbdf4e5e71c8964e7bd46ae3ad97a829df1f48d5
Shell
101
4
#!/bin/bash set -euo pipefail kind delete cluster --name claude-agent rm -rf "$(dirname "$0")/certs"
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Shell
101
4
#!/bin/bash sudo veyon-cli authkeys delete tpp/public sudo veyon-cli config clear sudo dpkg -r veyon
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Shell
102
1
"${SCHRODINGER}/ligprep" -inp ligprep_thrombin_recurated.inp -HOST localhost:10 -NJOBS 1 -TMPLAUNCHDIR
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Shell
102
6
#!/bin/bash source scripts/vars.sh source lib/conda/etc/profile.d/conda.sh conda activate $ENV_NAME
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Shell
104
6
#/bin/bash for i in {1..4}; do echo "running run $i" python test_petric.py --outdir output_$i done
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Shell
106
4
#!/bin/bash # Build script for conda package $PYTHON -m pip install . -vv --no-deps --no-build-isolation
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Shell
106
3
#!/bin/zsh python -W ignore '/home/lthpc/zhongzh/RFD4Hist/Stain_Normalization/process_all.py' --worker 20
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Shell
107
3
#!/bin/bash awk -F", " '{if ($2 == "False") print $1}' "../data/remodel_checks.csv" > straggers_list.txt
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Shell
107
2
#!/bin/bash exec uvicorn app.main:app --host 0.0.0.0 --port 5000 --workers 1 --root-path $APPLICATION_ROOT
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Shell
108
3
#!/bin/sh SCRIPT_NAME=$APPLICATION_ROOT exec gunicorn -b :5000 --access-logfile - --error-logfile - run:app
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Shell
112
8
#!/bin/bash # Siwei 26 Mar 2019 for eachfile in *.bed do echo $eachfile md5sum $eachfile >> BED_md5.txt done
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Shell
113
1
perl split_domain.v1.pl ../1.Loop_by_HiCCUPS/virus.onlyPart.resolution25.format.matrix 2000 > out1.domains.bedpe
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Shell
115
1
python -u run_regnn.py --dataset DBLP --model regcn --save_postfix DBLP-regcn --dropout 0.5 --repeat 10 --device $1
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Shell
115
2
set -ex python test.py --dataroot ./datasets/maps --name maps_cyclegan --model cycle_gan --phase test --no_dropout
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Shell
116
12
#!/bin/bash for eachfile in R21*.bam do echo $eachfile samtools view \ -H \ $eachfile \ | grep "RG" done
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Shell
116
8
#!/bin/bash if [[ $# -eq 0 ]]; then exec /bin/bash --login else cmd="$@" /bin/bash --login -i -c "${cmd}" fi
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Shell
116
1
python -u run_regnn.py --dataset IMDB --model regcn --save_postfix IMDB-regcn --feats_type 1 --repeat 10 --device $1
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Shell
117
6
#!/usr/bin/env bash set -e /veyon/.ci/common/linux-build.sh /veyon /build /veyon/.ci/common/finalize-rpm.sh "fc30"
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Shell
117
8
#!/usr/bin/env bash set -e cd /veyon flawfinder -Q -c core plugins master server service configurator cli worker
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Shell
117
1
python -u run_regnn.py --dataset DBLP --model regat --save_postfix DBLP-regat --num_heads 8 --repeat 10 --device $1
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Shell
118
3
set -ex python train.py --dataroot ./datasets/colorization --name color_pix2pix --model colorization --use_wandb ```
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Shell
119
5
#!/bin/bash set -e echo "running functional tests:" bash test/func/plotcritic_test.sh echo "finished functional tests"
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Shell
120
11
#!/bin/bash for i in $(seq 56) do rm -r $i mkdir $i cd $i cp ../{2qmt.pdb,submit.sh} . sbatch submit.sh $i cd ../ done
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Shell
121
9
#!/bin/bash cd v2015 for x in */ do cd $x babel -isdf ${x%/}_ligand.sdf -opdb ${x%/}_ligand.pdb cd ../ done cd ../
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Shell
124
11
#!/bin/bash for i in $(seq 26 290) do rm -r $i mkdir $i cd $i cp ../{wt.pdb,submit2.sh} . sbatch submit2.sh $i cd ../ done
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Shell
125
6
# conda activate <environment> read name genomefa rest <<< "$@" mkdir -p bwa_index bwa index -p bwa_index/$name $genomefa
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Shell
126
6
#!/usr/bin/env bash set -e /veyon/.ci/common/linux-build.sh /veyon /build /veyon/.ci/common/finalize-rpm.sh "opensuse-15.1"
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Shell
126
6
#!/usr/bin/env bash set -e /veyon/.ci/common/linux-build.sh /veyon /build /veyon/.ci/common/finalize-deb.sh "debian-buster"
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Shell
126
6
#!/bin/bash VERSION=latest docker pull fredericklab/capcalc:${VERSION} docker run -it fredericklab/capcalc:${VERSION} xyzzy
51ac7ecb8a1c9ade4cea67a3269415c00e69f2351551eb1720b3dbe60545d8ea
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126
6
#!/usr/bin/env bash set -e /veyon/.ci/common/linux-build.sh /veyon /build /veyon/.ci/common/finalize-deb.sh "ubuntu-bionic"
dfc5373b6c796f373cd4a40a651915f7c4bc9c3141392c4402e762c5b38ac3d5
Shell
126
6
#!/usr/bin/env bash set -e /veyon/.ci/common/linux-build.sh /veyon /build /veyon/.ci/common/finalize-deb.sh "ubuntu-xenial"
3823bee294331fafe398b8f0190ccf6e5a095795c3e76754d9c4e3d604e02054
Shell
127
3
for i in {1..6}; do wget https://cqsweb.app.vumc.org/download1/annotateGenome/TIGER/smallrna_data/S${i}_R1_001.fastq.gz done
763d0df872a817bee2dfc2337b6d435df9ecf9d9e2a5308cd2388c8dba6d4b04
Shell
127
7
#!/bin/bash source_folder="03.LanesMerged" fastq_list=$(ls ${source_folder}/*/*R1*) echo $fastq_list fastqc -t 30 $fastq_list
9b1c48aecae36239907fe30d860ed6eff819b26d571df21d8b8a70730ea20535
Shell
127
13
#!/bin/bash cd group_level for ii in *Tmean.nii.gz do fslmerge -t ${ii%%.nii.gz}_as_ts.nii.gz $ii $ii done cd ..
55367087f3ca840ba6941f5429545e7f03df2894bf0c3ce77d3779fae6fccf64
Shell
128
2
#!/bin/bash samtools quickcheck -v *.bam > bad_bams.fofn && echo 'all ok' || echo 'some files failed check, see bad_bams.fofn'
8a62355820f18c07cab1a5b5892ef5fe01b3167bf40e0b071df2d058a0615f77
Shell
129
4
#!/bin/bash r0=$(realpath $0) PATH=$(dirname $r0)/.venv/bin/:$(dirname $r0)/venv/bin/:$PATH python3 $(dirname $r0)/deepwmh.py $@
43e72577f771bb48e9eb8135be18723dd20b59a844ed78657c37d4a457cc7a42
Shell
132
2
mamba install -y cupy array-api-compat pip install git+https://github.com/TomographicImaging/Hackathon-000-Stochastic-QualityMetrics