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Shell
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#!/usr/bin/env bash # definitions workDir=/vols/Scratch scriptDir=/vols/Scratch/comparative_scripts mkdir -p $workDir/connectivity_maps_tracing seedList="M1 ALM aM2 pM2" template=$scriptDir/registrations/QBI_atlas_2mm_v6.nii for seed in $seedList; do echo "$seed" fsl_sbca -i $scriptDir/registrations/tracer_m...
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Shell
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#!/bin/bash #$ -cwd #$ -R y #$ -l mem_free=10.0G,h_vmem=10G,h_fsize=50G #$ -N 'gprofiler_plotting' #$ -o ./summary.out #$ -e ./summary.out echo "**** Job starts ****" date -Is echo "**** JHPCE info ****" echo "User: ${USER}" echo "Job id: ${JOB_ID}" echo "Job name: ${JOB_NAME}" echo "Hostname: ${HOSTNAME}" module lo...
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Shell
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#!/bin/bash #$ -cwd #$ -R y #$ -l mem_free=20.0G,h_vmem=20G,h_fsize=50G #$ -N gsea_analysis #$ -o ./summary.out #$ -e ./summary.out echo "**** Job starts ****" date echo "**** JHPCE info ****" echo "User: ${USER}" echo "Job id: ${JOB_ID}" echo "Job name: ${JOB_NAME}" echo "Hostname: ${HOSTNAME}" ## List current modu...
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Shell
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#Installations needed: #pip install sphinx #pip install sphinx_rtd_theme # Remove old docs rm -r source/* _build # Auto-generate API docs: sphinx-apidoc -M -o ./source ../pensa ../pensa/diffnets/ # Format the auto-generated API docs sed -i 's/ package//g' source/*.rst sed -i 's/ module//g' source/*.rst sed -i -e '/S...
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Shell
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#!/bin/bash #$ -cwd #$ -R y #$ -l mem_free=2.0G,h_vmem=20G,h_fsize=50G #$ -N 'resid_interaction_eqtl' #$ -o ./summary.out #$ -e ./summary.out echo "**** Job starts ****" date -Is echo "**** JHPCE info ****" echo "User: ${USER}" echo "Job id: ${JOB_ID}" echo "Job name: ${JOB_NAME}" echo "Hostname: ${HOSTNAME}" module...
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Shell
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ROOT_PATH="" model_path="$ROOT_PATH/outputs/chipseq/train_inf_gpt_small_gm12878/checkpoints/val/sei.ckpt" python -m train \ experiment=hg38/chipseq \ wandb.mode=online \ wandb.group=Chipseq \ wandb.name=gen_gpt_small_gm12878 \ hydra.run.dir="./outputs/chipseq/gen_gpt_small_gm12878" \ model.con...
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Shell
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# Before running, adjust folder names (/datafolder), segmentation task (retchat.task.*) and model (models\*) for DATA in "/datafolder" ; do rm "/home/fiona.muellner/faim-retina-chatbands/outputs/stacks_to_process.txt" luigi --local-scheduler --module retchat.tasks.run_segmentation_d20 retina.ParallelChatbandPredicti...
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Shell
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#!/bin/bash #$ -cwd #$ -R y #$ -l mem_free=10.0G,h_vmem=10G,h_fsize=50G #$ -N 'gprofiler_eqtl' #$ -o ./summary.out #$ -e ./summary.out echo "**** Job starts ****" date -Is echo "**** JHPCE info ****" echo "User: ${USER}" echo "Job id: ${JOB_ID}" echo "Job name: ${JOB_NAME}" echo "Hostname: ${HOSTNAME}" module load c...
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Shell
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#!/bin/bash #$ -cwd #$ -R y #$ -l mem_free=10.0G,h_vmem=10G,h_fsize=50G #$ -N 'semantic_plotting' #$ -o ./summary.out #$ -e ./summary.out echo "**** Job starts ****" date -Is echo "**** JHPCE info ****" echo "User: ${USER}" echo "Job id: ${JOB_ID}" echo "Job name: ${JOB_NAME}" echo "Hostname: ${HOSTNAME}" module loa...
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Shell
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#!/bin/bash #$ -cwd #$ -R y #$ -l mem_free=50G,h_vmem=50G,h_fsize=50G #$ -N prepare_mashr #$ -o ./summary.out #$ -e ./summary.out echo "**** Job starts ****" date echo "**** JHPCE info ****" echo "User: ${USER}" echo "Job id: ${JOB_ID}" echo "Job name: ${JOB_NAME}" echo "Hostname: ${HOSTNAME}" ## List current module...
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Shell
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#!/bin/bash #$ -cwd #$ -R y #$ -l mem_free=90G,h_vmem=90G,h_fsize=50G #$ -N prepare_mashr #$ -o ./summary.log #$ -e ./summary.log echo "**** Job starts ****" date echo "**** JHPCE info ****" echo "User: ${USER}" echo "Job id: ${JOB_ID}" echo "Job name: ${JOB_NAME}" echo "Hostname: ${HOSTNAME}" ## List current module...
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Shell
506
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cd /project/4180000.19/multiRat/tmp_crop/ds50 ls ./ | while read line do echo $line cd ${line} ls ./ | while read ses do #ses='ses-1' cd ${ses}/anat nii=$(ls *.nii.gz) mv $nii tmp.nii.gz fslroi tmp.nii.gz $nii 40 170 0 -1 70 145 slicer $nii -a ../../../../$(remove_ext $nii).png cd ../func nii=$(ls *.nii.gz) mv $nii ...
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Shell
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#!/bin/bash # Define variables ENV_FILE="environment.yaml" # Change to the script's directory or exit if unsuccessful cd "$(dirname "$0")" || { echo "Unable to change directory. Exiting."; exit 1; } # Get environment name ENV_NAME=$(awk '/name:/ {print $2}' "$ENV_FILE") # Create environment conda env create --file ...
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Shell
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#!/bin/bash # # This script finds the min & max values for all randomise output for comparisons between social & doors for ISTART 2022 # Jimmy Wyngaarden, May 2022 for model in 2 3 4 5; do for type in "act" "nppi-dmn" "ppi_seed-VS_thr5"; do for file in /data/projects/istart-socdoors/derivatives/fsl/L3_model-${model...
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Shell
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#!/bin/bash #SBATCH --job-name=gradients #SBATCH --output=gradients_%a.log #SBATCH --time=1-12:00:00 #SBATCH --mem=32GB #SBATCH --cpus-per-task=1 #SBATCH --partition=gpu #SBATCH --gres=gpu:1 #SBATCH --exclude=node-12,dgx-2,dgx-5 module purge module load cuDNN/7.6.4.38-gcccuda-2019b module load CUDA/10.1.243-GCC-8.3.0 ...
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Shell
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#!/bin/bash #$ -cwd #$ -R y #$ -l mem_free=80G,h_vmem=80G,h_fsize=50G #$ -N prepare_mashr #$ -o ./summary.log #$ -e ./summary.log echo "**** Job starts ****" date echo "**** JHPCE info ****" echo "User: ${USER}" echo "Job id: ${JOB_ID}" echo "Job name: ${JOB_NAME}" echo "Hostname: ${HOSTNAME}" ## List current module...
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Shell
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#!/bin/bash HOME=/fslgroup/fslg_spec_networks/compute code_DIR=${HOME}/code/Utah_analysis/CBIG2016_preproc_ALL output_DIR=/fslgroup/grp_proc/compute/Utah_analysis/CBIG2016_preproc_FS6 ##Change this first line to your code_DIR pointing to the subjids file for subj in `cat $code_DIR/subjids/ids.txt`;do mkdir -p ${c...
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Shell
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#!/bin/sh ## Download JARVIS data (version 1.1) from Vitsios et al., Nature Communications (2021) ## Preprocessing gzcat *hg38.tsv.gz | awk 'BEGIN{OFS="\t"} {print "chr"$1, $2-1, $2, $3}' | sort -k1,1V -k2,2n -k3,3n -t$'\t' | bgzip -c > sorted.jarvis.all_chr.bed.gz tabix -p bed sorted.jarvis.all_chr.bed.gz gzcat sor...
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Shell
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#!/bin/bash #$ -cwd #$ -R y #$ -l mem_free=200G,h_vmem=200G,h_fsize=50G #$ -N prepare_mashr #$ -o ./summary.out #$ -e ./summary.out echo "**** Job starts ****" date echo "**** JHPCE info ****" echo "User: ${USER}" echo "Job id: ${JOB_ID}" echo "Job name: ${JOB_NAME}" echo "Hostname: ${HOSTNAME}" ## List current modu...
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Shell
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#!/bin/bash #$ -cwd #$ -l mem_free=5G,h_vmem=5G,h_fsize=50G #$ -N dRFE_curve #$ -o ./summary.log #$ -e ./summary.log echo "**** Job starts ****" date echo "**** JHPCE info ****" echo "User: ${USER}" echo "Job id: ${JOB_ID}" echo "Job name: ${JOB_NAME}" echo "Hostname: ${HOSTNAME}" ## List current modules for reprodu...
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Shell
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#!/bin/bash #$ -cwd #$ -R y #$ -l mem_free=10G,h_vmem=10G,h_fsize=100G #$ -N sz_coloc_comp #$ -o ./summary.log #$ -e ./summary.log echo "**** Job starts ****" date echo "**** JHPCE info ****" echo "User: ${USER}" echo "Job id: ${JOB_ID}" echo "Job name: ${JOB_NAME}" echo "Hostname: ${HOSTNAME}" ## List current modul...
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Shell
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#!/bin/bash #$ -cwd #$ -R y #$ -l mem_free=10.0G,h_vmem=10G,h_fsize=50G #$ -N 'correlation' #$ -o ./summary.out #$ -e ./summary.out echo "**** Job starts ****" date -Is echo "**** JHPCE info ****" echo "User: ${USER}" echo "Job id: ${JOB_ID}" echo "Job name: ${JOB_NAME}" echo "Hostname: ${HOSTNAME}" #### List module...
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Shell
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#!/bin/bash # Builds docker container and tags it. Takes 1 arg: # arg1: docker image tag (Optional) # Example usage: scripts/build.sh v1.0.0 set -e # cd to project root directory cd "$(dirname "$(dirname "$0")")" # Set docker tag to first arg or latest if arg not given. [[ ! -z "$1" ]] && DOCKER_TAG="$1" || DOCKER_TA...
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Shell
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#!/bin/bash #$ -cwd #$ -R y #$ -l h_fsize=50G #$ -N gsea_plotting #$ -o ./summary.out #$ -e ./summary.out echo "**** Job starts ****" date echo "**** JHPCE info ****" echo "User: ${USER}" echo "Job id: ${JOB_ID}" echo "Job name: ${JOB_NAME}" echo "Hostname: ${HOSTNAME}" ## List current modules for reproducibility mo...
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Shell
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#!/bin/bash #$ -cwd #$ -l mem_free=5G,h_vmem=5G,h_fsize=50G #$ -N dRFE_summary #$ -o ./summary.log #$ -e ./summary.log echo "**** Job starts ****" date echo "**** JHPCE info ****" echo "User: ${USER}" echo "Job id: ${JOB_ID}" echo "Job name: ${JOB_NAME}" echo "Hostname: ${HOSTNAME}" ## List current modules for repro...
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Shell
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#!/bin/bash #$ -cwd #$ -R y #$ -l h_fsize=50G #$ -N upset_plot #$ -o ./summary.out #$ -e ./summary.out echo "**** Job starts ****" date echo "**** JHPCE info ****" echo "User: ${USER}" echo "Job id: ${JOB_ID}" echo "Job name: ${JOB_NAME}" echo "Hostname: ${HOSTNAME}" ## List current modules for reproducibility modul...
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Shell
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#!/bin/bash #$ -cwd #$ -R y #$ -pe local 15 #$ -l mem_free=8G,h_vmem=8G,h_fsize=100G #$ -N 'network_dlpfc' #$ -o ./network.out #$ -e ./network.out echo "**** Job starts ****" date -Is echo "**** JHPCE info ****" echo "User: ${USER}" echo "Job id: ${JOB_ID}" echo "Job name: ${JOB_NAME}" echo "Hostname: ${HOSTNAME}" m...
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Shell
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#!/bin/bash # Load Local Variables source ./SET_VARIABLES.sh # Generate New Scanlist File >SCANLIST.txt # Loop over directories in Bruker raw folder for Scan in ${BRUKER_RAW_DIR}/*/; do if test -f "${Scan}/acqp"; then echo "Scanning File $Scan"; python3 ${SCRIPTS}/print_scan_name.py "${Scan}/acqp...
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Shell
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#!/bin/bash #$ -cwd #$ -R y #$ -l mem_free=10.0G,h_vmem=10G,h_fsize=50G #$ -N 'correlation' #$ -o ./summary.out #$ -e ./summary.out echo "**** Job starts ****" date -Is echo "**** JHPCE info ****" echo "User: ${USER}" echo "Job id: ${JOB_ID}" echo "Job name: ${JOB_NAME}" echo "Hostname: ${HOSTNAME}" #### List module...
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Shell
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#!/bin/bash #$ -cwd #$ -R y #$ -pe local 15 #$ -l mem_free=8G,h_vmem=8G,h_fsize=100G #$ -N 'network_caudate' #$ -o ./network.out #$ -e ./network.out echo "**** Job starts ****" date -Is echo "**** JHPCE info ****" echo "User: ${USER}" echo "Job id: ${JOB_ID}" echo "Job name: ${JOB_NAME}" echo "Hostname: ${HOSTNAME}" ...
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Shell
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#!/bin/bash #$ -cwd #$ -l mem_free=5G,h_vmem=5G,h_fsize=50G #$ -N dRFE_summary #$ -o ./summary.log #$ -e ./summary.log echo "**** Job starts ****" date echo "**** JHPCE info ****" echo "User: ${USER}" echo "Job id: ${JOB_ID}" echo "Job name: ${JOB_NAME}" echo "Hostname: ${HOSTNAME}" ## List current modules for repro...
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Shell
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#!/bin/bash #$ -cwd #$ -R y #$ -l mem_free=15.0G,h_vmem=15G,h_fsize=50G #$ -N 'softpower_dlpfc' #$ -o ./summary.out #$ -e ./summary.out echo "**** Job starts ****" date -Is echo "**** JHPCE info ****" echo "User: ${USER}" echo "Job id: ${JOB_ID}" echo "Job name: ${JOB_NAME}" echo "Hostname: ${HOSTNAME}" #### Load mo...
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Shell
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#!/bin/bash #Copyright 2023. TU Graz. Institute of Biomedical Imaging. #Author: Moritz Blumenthal set -eu SCRIPT_DIR=$( cd "$( dirname "${BASH_SOURCE[0]}" )" >/dev/null 2>&1 && pwd ) cd $SCRIPT_DIR if [ -z "${PARALLEL:-}" ]; then PARALLEL=1 fi i=0 trap "kill 0" EXIT for RAW in $RAWDIR/t1_sa/*.hdr ; do RAW...
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Shell
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#!/bin/bash #$ -cwd #$ -R y #$ -l mem_free=15.0G,h_vmem=15G,h_fsize=50G #$ -N 'softpower_caudate' #$ -o ./summary.out #$ -e ./summary.out echo "**** Job starts ****" date -Is echo "**** JHPCE info ****" echo "User: ${USER}" echo "Job id: ${JOB_ID}" echo "Job name: ${JOB_NAME}" echo "Hostname: ${HOSTNAME}" #### Load ...
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Shell
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#!/bin/bash #$ -cwd #$ -R y #$ -pe local 15 #$ -l mem_free=8G,h_vmem=8G,h_fsize=100G #$ -N 'network_hippocampus' #$ -o ./network.out #$ -e ./network.out echo "**** Job starts ****" date -Is echo "**** JHPCE info ****" echo "User: ${USER}" echo "Job id: ${JOB_ID}" echo "Job name: ${JOB_NAME}" echo "Hostname: ${HOSTNAM...
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Shell
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#!/bin/bash #$ -cwd #$ -R y #$ -l h_fsize=50G #$ -N eigen_corr #$ -o ./summary.out #$ -e ./summary.out echo "**** Job starts ****" date echo "**** JHPCE info ****" echo "User: ${USER}" echo "Job id: ${JOB_ID}" echo "Job name: ${JOB_NAME}" echo "Hostname: ${HOSTNAME}" ## List current modules for reproducibility modul...
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Shell
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SBATCH_OPTIONS=" -p gpu-a100 -t 0-15:00:00 --ntasks=4 --gres=gpu:4" SPLIT="0.75" SPLIT_FLAG="2" OS=1.5 COS=1.25 DATASET=03_t1_svd NETWORK=" -i15 --resnet-block=no-batch-normalization,F=64 --iter-net=3 --alpha-min=0.001" TRAINING="--lambda-sens=-0.001 -b16 -Te=250,dump-mod=50,r=0.001 -Texport-history=history --train-...
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SBATCH_OPTIONS=" -p gpu-a100 -t 0-15:00:00 --ntasks=4 --gres=gpu:4" SPLIT="0.75" SPLIT_FLAG="2" OS=1.5 COS=1.25 DATASET=03_t1_svd NETWORK=" -i15 --resnet-block=no-batch-normalization,F=64 --iter-net=3 --alpha-min=0.001" TRAINING="--lambda-sens=-0.001 -b16 -Te=250,dump-mod=50,r=0.001 -Texport-history=history --train-...
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Shell
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#!/bin/bash #$ -cwd #$ -l mem_free=5.0G,h_vmem=5G,h_fsize=50G #$ -N enrichment_heatmap #$ -o ./plotting.log #$ -e ./plotting.log echo "**** Job starts ****" date echo "**** JHPCE info ****" echo "User: ${USER}" echo "Job id: ${JOB_ID}" echo "Job name: ${JOB_NAME}" echo "Hostname: ${HOSTNAME}" ## List current modules...
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Shell
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# Remove default output dir and smk internal dir cleanup () { rc=$? rm -rf .snakemake/ rm -rf ../output/ cd "$user_dir" echo "Exit status: $rc" } trap cleanup EXIT set -eo pipefail # ensures that script exits at first command that exits with non-zero status set -u # ensures that script exits whe...
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Shell
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#!/bin/bash #$ -cwd #$ -R y #$ -l h_fsize=50G #$ -N rrho_plot #$ -o ./summary.out #$ -e ./summary.out echo "**** Job starts ****" date echo "**** JHPCE info ****" echo "User: ${USER}" echo "Job id: ${JOB_ID}" echo "Job name: ${JOB_NAME}" echo "Hostname: ${HOSTNAME}" ## List current modules for reproducibility module...
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Shell
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#!/bin/bash -l #SBATCH --time=5:00:00 #SBATCH --partition=prod #SBATCH --account=proj100 #SBATCH --nodes=1 #SBATCH --job-name=metrics #SBATCH --exclusive #SBATCH --mem=0 echo 'load venv' module purge module load archive/2023-06 python source /gpfs/bbp.cscs.ch/project/proj100/analysis/vbca/bin/activate cd /gpfs/bbp....
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Shell
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#!/bin/bash #$ -cwd #$ -R y #$ -l mem_free=15.0G,h_vmem=15G,h_fsize=50G #$ -N 'softpower_hippocampus' #$ -o ./summary.out #$ -e ./summary.out echo "**** Job starts ****" date -Is echo "**** JHPCE info ****" echo "User: ${USER}" echo "Job id: ${JOB_ID}" echo "Job name: ${JOB_NAME}" echo "Hostname: ${HOSTNAME}" #### L...
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Shell
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#!/bin/bash #$ -cwd #$ -R y #$ -l mem_free=5G,h_vmem=5G,h_fsize=100G #$ -N mash_allpairs_clean #$ -o ./clean_mash.log #$ -e ./clean_mash.log echo "**** Job starts ****" date echo "**** JHPCE info ****" echo "User: ${USER}" echo "Job id: ${JOB_ID}" echo "Job name: ${JOB_NAME}" echo "Hostname: ${HOSTNAME}" ## List cur...
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Shell
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#!/bin/bash #$ -cwd #$ -R y #$ -l mem_free=20.0G,h_vmem=20G,h_fsize=50G #$ -N gsea_analysis #$ -o ./summary.out #$ -e ./summary.out #$ -m e -M jade.benjamin@libd.org echo "**** Job starts ****" date echo "**** JHPCE info ****" echo "User: ${USER}" echo "Job id: ${JOB_ID}" echo "Job name: ${JOB_NAME}" echo "Hostname: ...
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Shell
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#!/bin/bash #$ -cwd #$ -R y #$ -l mem_free=80G,h_vmem=80G,h_fsize=100G #$ -N run_mashr #$ -o ./mash.log #$ -e ./mash.log echo "**** Job starts ****" date echo "**** JHPCE info ****" echo "User: ${USER}" echo "Job id: ${JOB_ID}" echo "Job name: ${JOB_NAME}" echo "Hostname: ${HOSTNAME}" ## List current modules for rep...
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Shell
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30
#!/bin/bash #$ -cwd #$ -R y #$ -l h_fsize=50G #$ -N boxplots #$ -o ./summary.out #$ -e ./summary.out echo "**** Job starts ****" date echo "**** JHPCE info ****" echo "User: ${USER}" echo "Job id: ${JOB_ID}" echo "Job name: ${JOB_NAME}" echo "Hostname: ${HOSTNAME}" ## List current modules for reproducibility module ...
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FILE=$1 echo "Note: available models are apple2orange, facades_photo2label, map2sat, orange2apple, style_cezanne, style_ukiyoe, summer2winter_yosemite, zebra2horse, facades_label2photo, horse2zebra,monet2photo, sat2map, style_monet,style_vangogh, winter2summer_yosemite, iphone2dslr_flower" echo "Specified [$FILE]" ...
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#!/bin/bash #$ -cwd #$ -R y #$ -l mem_free=150G,h_vmem=150G,h_fsize=100G #$ -N run_mashr #$ -o ./mash.log #$ -e ./mash.log echo "**** Job starts ****" date echo "**** JHPCE info ****" echo "User: ${USER}" echo "Job id: ${JOB_ID}" echo "Job name: ${JOB_NAME}" echo "Hostname: ${HOSTNAME}" ## List current modules for r...
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Shell
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#!/bin/bash #$ -cwd #$ -R y #$ -l mem_free=150G,h_vmem=150G,h_fsize=100G #$ -N jxn_mashr #$ -o ./mash.log #$ -e ./mash.log echo "**** Job starts ****" date echo "**** JHPCE info ****" echo "User: ${USER}" echo "Job id: ${JOB_ID}" echo "Job name: ${JOB_NAME}" echo "Hostname: ${HOSTNAME}" ## List current modules for r...
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Shell
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#!/bin/sh ## ## #SBATCH -p gpu-super.q #SBATCH --exclude=nova002,nova003,nova00[5-7],nova01[1-4] #SBATCH --cpus-per-task=6 #SBATCH -n 1 #SBATCH -N 1 #SBATCH --job-name=ep_100 #SBATCH --output=output.log #SBATCH --gres=gpu:1 export NCCL_P2P_DISABLE=1 python scripts/inference_end_to_end_w_igfold.py --batch_size 1 --wei...
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#!/bin/bash #Copyright 2023. TU Graz. Institute of Biomedical Imaging. #Author: Moritz Blumenthal set -eu SCRIPT_DIR=$( cd "$( dirname "${BASH_SOURCE[0]}" )" >/dev/null 2>&1 && pwd ) cd $SCRIPT_DIR if [ -z "${PARALLEL:-}" ]; then PARALLEL=1 fi i=0 trap "kill 0" EXIT for RAW in $RAWDIR/rt_sa_st/*.hdr ; do R...
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Shell
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#!/bin/bash #$ -cwd #$ -l mem_free=10.0G,h_vmem=10G,h_fsize=50G #$ -N pca_plot #$ -o ./plotting.log #$ -e ./plotting.log echo "**** Job starts ****" date echo "**** JHPCE info ****" echo "User: ${USER}" echo "Job id: ${JOB_ID}" echo "Job name: ${JOB_NAME}" echo "Hostname: ${HOSTNAME}" ## List current modules for rep...
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Shell
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#!/bin/bash #$ -cwd #$ -R y #$ -l mem_free=10G,h_vmem=10G,h_fsize=100G #$ -N extract_model #$ -o ./mash.log #$ -e ./mash.log echo "**** Job starts ****" date echo "**** JHPCE info ****" echo "User: ${USER}" echo "Job id: ${JOB_ID}" echo "Job name: ${JOB_NAME}" echo "Hostname: ${HOSTNAME}" ## List current modules for...
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Shell
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#!/bin/bash #$ -cwd #$ -R y #$ -l mem_free=25G,h_vmem=25G,h_fsize=100G #$ -N extract_model #$ -o ./mash.log #$ -e ./mash.log echo "**** Job starts ****" date echo "**** JHPCE info ****" echo "User: ${USER}" echo "Job id: ${JOB_ID}" echo "Job name: ${JOB_NAME}" echo "Hostname: ${HOSTNAME}" ## List current modules for...
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Shell
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#!/bin/bash set -eu # Initialize a variable to keep track of errors errors=0 # make sure not importing from langchain or langchain_experimental # allow langchain.agents and langchain.tools (v1 middleware) git --no-pager grep "^from langchain\." . | grep -v ":from langchain\.agents" | grep -v ":from langchain\.tools"...
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#!/bin/bash # Note that in the example below the indices in the # input_pdbs/7zkr_GABARAP.pdb file have been shifted # by +2 in chain A relative to pdbID 7zkr. ../scripts/run_inference.py \ --config-name base \ inference.output_prefix=example_outputs/diffused_binder_cyclic2 \ inference.num_designs=10 \ 'contigmap.con...
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# cellranger mkfastq conda activate scrnaseq module load cellranger/6.0 bsub -Is -R 'rusage[mem=10000]' -n 4 /bin/bash cd /data/bioinformatics/projects/hassan2022/output/FC_07379 nohup cellranger mkfastq --id=01_cellranger_mkfastq \ --run=/data/bioinformatics/projects/hassan2022/data/FC_07379/220...
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#!/bin/bash FEATURE="gene" ## change based on feature to process FAM="/location/of/FAM/genotypes.fam" PHENO="/location/of/phenotype/file.csv" TPM="/location/of/TPM/file.csv" ## Match counts with feature short hand if [[ $FEATURE == 'transcript' ]]; then VAR="tx" elif [[ $FEATURE == "junction" ]]; then VAR="jx...
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#!/bin/bash filelist=`ls ./*/task.feat/artef_clean.feat/filtered_func_data_clean.nii.gz` for ID in $filelist ; do fslswapdim $ID -x y z ${ID:0:end-7}_flipx.nii.gz; done filelist=`ls ./*/T1_BC.nii.gz` for ID in $filelist ; do fslswapdim $ID -x y z ${ID:0:end-7}_flipx.nii.gz; done filelist=`ls ./*/T1_BC_brain.ni...
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#!/bin/bash # 64GB = 68719476736 bytes MX_DOCKERIMAGE=${MX_DOCKERIMAGE:="ghcr.io/imsb-uke/maxomod_pipeline-r-python"} MX_TAG=${MX_TAG:="latest"} which docker if [ "$?" = "0" ]; then docker pull "${MX_DOCKERIMAGE}:${MX_TAG}" docker run \ --rm \ --name "$USER-maxomod-pipeline-$$" \ --volume "$PWD:/wor...
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#!/bin/bash # Here, we're making some unconditional designs, and also using the 'monomer_contacts' auxillary potential function # We specify the path for the outputs # We tell RFdiffusion that designs should be 100-200 residues in length (randomly sampled each design) # We generate 10 such designs ../scripts/run_infer...
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SBATCH_OPTIONS=" -p gpu-a100 -t 0-15:00:00 --ntasks=4 --gres=gpu:4" SPLIT="0.75" SPLIT_FLAG="2" OS=1.5 COS=1.25 DATASET=03_t1_svd NETWORK=" -i15 --resnet-block=no-batch-normalization,F=64 --iter-net=3 --alpha-min=0.001" TRAINING="--lambda-sens=-0.001 --mask=msk -b16 -Te=250,dump-mod=50,r=0.001 -Texport-history=histo...
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Shell
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SBATCH_OPTIONS=" -p gpu-a100 -t 0-15:00:00 --ntasks=4 --gres=gpu:4" SPLIT="0.75" SPLIT_FLAG="2" OS=1.5 COS=1.25 DATASET=03_t1_svd NETWORK=" -i15 --resnet-block=no-batch-normalization,F=64 --iter-net=3 --alpha-min=0.001" TRAINING="--lambda-sens=-0.001 --mask=msk -b16 -Te=250,dump-mod=50,r=0.001 -Texport-history=histo...
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SBATCH_OPTIONS=" -p gpu-a100 -t 0-15:00:00 --ntasks=4 --gres=gpu:4" SPLIT="0.75" SPLIT_FLAG="2" OS=1.5 COS=1.25 DATASET=04_t1_rovir ROVIR=" -V" NETWORK=" -i15 --resnet-block=no-batch-normalization,F=64 --iter-net=3 --alpha-min=0.001" TRAINING="--lambda-sens=-0.001 -b16 -Te=250,dump-mod=50,r=0.001 -Texport-history=hi...
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#!/bin/bash #$ -cwd #$ -R y #$ -pe local 5 #$ -l mem_free=5G,h_vmem=5G,h_fsize=100G #$ -N coloc_supp #$ -o ./summary.log #$ -e ./summary.log echo "**** Job starts ****" date echo "**** JHPCE info ****" echo "User: ${USER}" echo "Job id: ${JOB_ID}" echo "Job name: ${JOB_NAME}" echo "Hostname: ${HOSTNAME}" ## List cur...
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Shell
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SBATCH_OPTIONS=" -p gpu-a100 -t 0-15:00:00 --ntasks=4 --gres=gpu:4" SPLIT="0.75" SPLIT_FLAG="2" OS=1.5 COS=1.25 DATASET=04_t1_rovir ROVIR=" -V" NETWORK=" -i15 --resnet-block=no-batch-normalization,F=64 --iter-net=3 --alpha-min=0.001" TRAINING="--lambda-sens=-0.001 -b16 -Te=250,dump-mod=50,r=0.001 -Texport-history=hi...
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#!/bin/bash #Copyright 2023. TU Graz. Institute of Biomedical Imaging. #Author: Moritz Blumenthal set -u SCRIPT_DIR=$( cd "$( dirname "${BASH_SOURCE[0]}" )" >/dev/null 2>&1 && pwd ) cd $SCRIPT_DIR/../ if [ -z "${RECODIR:-}" ]; then RECODIR="$SCRIPT_DIR/../" fi rm -r $RECODIR/21_recos_rt/vol0082_vis1_slc16 rm -r...
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Shell
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#!/bin/bash mkdir -p pca mkdir -p plots mkdir -p results python ../scripts/calculate_combined_principal_components.py \ --ref_file_a 'traj/condition-a_receptor.gro' \ --trj_file_a 'traj/condition-a_receptor.xtc' \ --ref_file_b 'traj/condition-b_receptor.gro' \ --trj_file_b 'traj/condition-b_receptor.xtc' \ --out...
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Shell
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#!/bin/bash #$ -cwd #$ -R y #$ -l h_fsize=50G #$ -N estrogen_dependent #$ -o ./summary.out #$ -e ./summary.out echo "**** Job starts ****" date echo "**** JHPCE info ****" echo "User: ${USER}" echo "Job id: ${JOB_ID}" echo "Job name: ${JOB_NAME}" echo "Hostname: ${HOSTNAME}" ## List current modules for reproducibili...
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Shell
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#!/bin/bash #$ -cwd #$ -l mem_free=10G,h_vmem=10G,h_fsize=10G #$ -N process_gene #$ -o ./summary.log #$ -e ./summary.log echo "**** Job starts ****" date echo "**** JHPCE info ****" echo "User: ${USER}" echo "Job id: ${JOB_ID}" echo "Job name: ${JOB_NAME}" echo "Hostname: ${HOSTNAME}" ## List current modules for rep...
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Shell
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#!/bin/bash #$ -cwd #$ -R y #$ -l h_fsize=50G #$ -N gsea_similarity #$ -o ./similarity.log #$ -e ./similarity.log echo "**** Job starts ****" date echo "**** JHPCE info ****" echo "User: ${USER}" echo "Job id: ${JOB_ID}" echo "Job name: ${JOB_NAME}" echo "Hostname: ${HOSTNAME}" ## List current modules for reproducib...
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Shell
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# create_tabix_gtex_allpairs.sh # by Brian Chen # This script takes GTEx v8 eQTL all pair files and outputs index file for tabix # $1 is path to tissue file module load htslib #or module load tabix module load vcftools tissueName=$(echo "${1##*/}" | cut -f 1,2 -d '.') echo $tissueName zcat $1 | sed '1D' | tr '_' '\t...
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Shell
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#!/bin/bash save_dir=<path to the generated sequences> python evaluate.py \ --save_dir ${save_dir} \ --ca_only \ --largest_frag \ --use_openbabel \ --train_data_foler "two_digit_smiles_reorder_cutoff_15_ligand_only_frag" \ ### calculate vina score python analysis/docking.py \ --pdbqt_dir ./sample_output/test_pdb...
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Shell
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#!/bin/bash #$ -cwd #$ -R y #$ -l h_fsize=50G #$ -N estrogen_dependent #$ -o ./summary.out #$ -e ./summary.out echo "**** Job starts ****" date echo "**** JHPCE info ****" echo "User: ${USER}" echo "Job id: ${JOB_ID}" echo "Job name: ${JOB_NAME}" echo "Hostname: ${HOSTNAME}" ## List current modules for reproducibili...
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Shell
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#!/bin/sh GPU=0 CUDA_VISIBLE_DEVICES=${GPU} python ../src/main_fast_new.py --GPU --J2=0.0 --dataname='36_node_square_lattice'\ --num_spin=36 --data_dir='../dataset/' --savefolder='36_square_J00' --save_dir='../result/Heisenberg/'\ --checkpoint_dir='../checkpoints/Heisenberg/' --log_dir='../log/Heisenberg/' --model=...
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Shell
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#!/bin/bash #$ -cwd #$ -R y #$ -l h_fsize=50G #$ -N estrogen_dependent #$ -o ./summary.out #$ -e ./summary.out echo "**** Job starts ****" date echo "**** JHPCE info ****" echo "User: ${USER}" echo "Job id: ${JOB_ID}" echo "Job name: ${JOB_NAME}" echo "Hostname: ${HOSTNAME}" ## List current modules for reproducibili...
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Shell
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#!/bin/bash # Global variables ALL_IDS=$1 #all_ids.txt SIGNIFICANT_IDS=$2 #significant_ids.txt ENRICHMENT=$3 #"$FISHER_FOLDER"/go_enrichment.csv GO_DATABASE=02_go_database/go-basic.obo ANNOTATIONS=06_fisher_tests/all_go_annotations.csv FISHER_FOLDER=06_fisher_tests # Running goa tools echo "Running en...
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Shell
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#!/bin/sh GPU=1 CUDA_VISIBLE_DEVICES=${GPU} python ../src/main_fast_new.py --GPU --J2=0.5 --dataname='36_node_square_lattice'\ --num_spin=36 --data_dir='../dataset/' --savefolder='36_square_J05' --save_dir='../result/Heisenberg/'\ --checkpoint_dir='../checkpoints/Heisenberg/' --log_dir='../log/Heisenberg/' --model=...
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Shell
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#!/bin/bash script='/home/dlopezma/RFdiffusion/scripts/run_inference.py' python $script \ inference.output_prefix=outputs-test/binder_ \ inference.input_pdb=channel-toxin.pdb 'contigmap.contigs=[A1-110/0 B111-220/0 C221-330/0 D331-440/0 30-50/H462-463/20-50]' \ 'ppi.hotspot_res=[A68,A70,B178,B180,C288,C290,D398,D400...
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Shell
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#!/bin/sh GPU=2 CUDA_VISIBLE_DEVICES=${GPU} python ../src/main_fast_new.py --GPU --J2=0.0 --dataname='100_node_square_lattice'\ --num_spin=100 --data_dir='../dataset/' --savefolder='100_square_J00' --save_dir='../result/Heisenberg/'\ --checkpoint_dir='../checkpoints/Heisenberg/' --log_dir='../log/Heisenberg/' --mod...
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Shell
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#!/bin/sh GPU=0 CUDA_VISIBLE_DEVICES=${GPU} python ../src/main_fast_new.py --GPU --J2=0.5 --dataname='100_node_square_lattice'\ --num_spin=100 --data_dir='../dataset/' --savefolder='100_square_J05' --save_dir='../result/Heisenberg/'\ --checkpoint_dir='../checkpoints/Heisenberg/' --log_dir='../log/Heisenberg/' --mod...
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Shell
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SBATCH_OPTIONS=" -p gpu-a100 -t 0-15:00:00 --ntasks=4 --gres=gpu:4" SPLIT="0.75" SPLIT_FLAG="2" OS=1.5 COS=1.25 DATASET=04_t1_rovir ROVIR=" -V" NETWORK=" -i15 --resnet-block=no-batch-normalization,F=64 --iter-net=3 --alpha-min=0.001" TRAINING="--lambda-sens=-0.001 --mask=msk -b16 -Te=250,dump-mod=50,r=0.001 -Texport...
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Shell
548
15
SBATCH_OPTIONS=" -p gpu-a100 -t 0-15:00:00 --ntasks=4 --gres=gpu:4" SPLIT="0.75" SPLIT_FLAG="2" OS=1.5 COS=1.25 DATASET=04_t1_rovir ROVIR=" -V" NETWORK=" -i15 --resnet-block=no-batch-normalization,F=64 --iter-net=3 --alpha-min=0.001" TRAINING="--lambda-sens=-0.001 --mask=msk -b16 -Te=250,dump-mod=50,r=0.001 -Texport...
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Shell
552
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# Remove default output dir, default index dir and smk internal dir cleanup () { rc=$? rm -rf .snakemake/ rm -rf ../output/ ../index cd "$user_dir" echo "Exit status: $rc" } trap cleanup EXIT set -eo pipefail # ensures that script exits at first command that exits with non-zero status set -u # e...
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Shell
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INPUT=$1 OUTPUT=$2 PATH_SET_VARIABLES=$3 INPUT_DIR=$(dirname "${INPUT}") source ${PATH_SET_VARIABLES} mkdir -p ${INPUT_DIR}/tmp_degibbs_in/ mkdir -p ${INPUT_DIR}/tmp_degibbs_out/ ${FSL_LOCAL}/fslsplit \ ${INPUT} \ ${INPUT_DIR}/tmp_degibbs_in/ for i in ${INPUT_DIR}/tmp_degibbs_in/*; do i_File=$(basename "${i}"...
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Shell
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#!/bin/bash annotation=$1 conda activate scrnaseq module load cellranger/6.0 cd /data/bioinformatics/projects/hassan2022/output/FC_07379/02_cellranger_count_expectedCells cellranger count --id=$annotation \ --transcriptome=/data/bioinformatics/referenceGenome/Drosophila_Melanogaster/Ensembl/dm6/Droso...
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Shell
558
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#!/bin/bash #SBATCH --time=24:00:00 #SBATCH --mem=20G #SBATCH --partition=rondror #SBATCH --constraint=GPU_MEM:12GB #SBATCH --qos=high_p mkdir -p plots mkdir -p vispdb mkdir -p results python ../scripts/compare_feature_distributions.py \ --ref_file_a traj/condition-a_receptor.gro \ --trj_file_a traj/condition-a_re...
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Shell
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#!/bin/bash # This script will perform Level 3 stats across social # and nonsocial conditions in the ISTART Social Doors task # for models containing covariates # Ensure paths are correct irrespective from where user runs the script scriptdir="$( cd "$( dirname "${BASH_SOURCE[0]}" )" >/dev/null 2>&1 && pwd )" basedi...
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Shell
560
9
#!/bin/sh GPU=0 CUDA_VISIBLE_DEVICES=${GPU} python ../src/main_fast_new.py --GPU --J2=0.0 --dataname='32_node_honeycomb_lattice'\ --num_spin=32 --data_dir='../dataset/' --savefolder='32_honeycomb_J00' --save_dir='../result/Heisenberg/'\ --checkpoint_dir='../checkpoints/Heisenberg/' --log_dir='../log/Heisenberg/' --...
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Shell
561
19
#!/usr/bin/env bash # definitions scriptDir=/vols/Scratch/comparative_scripts/m2_homologies workDir=$scriptDir/seeds mkdir -p $scriptDir/seeds refImg=/vols/Scratch/Valerio_data/Template/QBI_atlas100_AP_swap.nii.gz ROIlist="S1Left S2Left M1Left M2posterior M2anterior A1 V1 IL PL CG12 Retrosplenial Orbitofrontal BLA V...
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Shell
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#!/bin/sh GPU=4 CUDA_VISIBLE_DEVICES=${GPU} python ../src/main_fast_new.py --GPU --J2=0.2 --dataname='32_node_honeycomb_lattice'\ --num_spin=32 --data_dir='../dataset/' --savefolder='32_honeycomb_J02' --save_dir='../result/Heisenberg/'\ --checkpoint_dir='../checkpoints/Heisenberg/' --log_dir='../log/Heisenberg/' --...
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Shell
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#!/bin/sh GPU=0 CUDA_VISIBLE_DEVICES=${GPU} python ../src/main_fast_new.py --GPU --J2=0.2 --dataname='98_node_honeycomb_lattice'\ --num_spin=98 --data_dir='../dataset/' --savefolder='98_honeycomb_J02' --save_dir='../result/Heisenberg/'\ --checkpoint_dir='../checkpoints/Heisenberg/' --log_dir='../log/Heisenberg/' --...
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Shell
562
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#!/bin/sh GPU=5 CUDA_VISIBLE_DEVICES=${GPU} python ../src/main_fast_new.py --GPU --J2=0.0 --dataname='98_node_honeycomb_lattice'\ --num_spin=98 --data_dir='../dataset/' --savefolder='98_honeycomb_J00' --save_dir='../result/Heisenberg/'\ --checkpoint_dir='../checkpoints/Heisenberg/' --log_dir='../log/Heisenberg/' -...
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#!/bin/bash set -e cd "$(dirname "$0")" # Resolve the Python interpreter: prefer `uv run` against Python/pyproject.toml # (which carries pyyaml in the dev group), fall back to system python if uv # isn't installed. if command -v uv >/dev/null 2>&1; then PY=(uv run --project ../Python python) else PY=(python) fi "...
f160f2c1ddb47593ee51d2348210443400c237e47d9f380041828b67bbd4ced6
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# This runs the 10-fold CV on Pan's human PPI dataset. This is not a part of the results in our ISMB paper, but here are what we've got: # Acc=98.11 Prec=98.99 F1=98.03 cd ../lasagna mkdir results CUDA_VISIBLE_DEVICES=2 python rcnn.py ../../../sun/preprocessed/Supp-AB.tsv -1 results/sun_wvctc_rcnn_25_5.txt 3 25 1...
6ed6d2d83d25627148905903ab36737e399cbb94347e464384471c1727d6efce
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export nnUNet_results="nnUNet_training/nnUNet_results" export nnUNet_raw="nnUNet_training/nnUNet_raw" export nnUNet_preprocessed="nnUNet_training/nnUNet_preprocessed" export nnUNet_predictions="nnUNet_training/nnUNet_predictions" GPU_ID=0 # Put the GPU IDs here DATASET=557 TRAINER=nnUNetTrainer nnUNetv2_plan_and_prep...
9ae0ece158a482788c7c1d5cebfd46a8820de370a89a766ab2037d56397b6dfc
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# Check arguments and usage guide if [ "$#" -lt 1 ]; then echo "Usage: $0 <path_swconfig_json> <debug_mode> <print_swconfig> <sweep_progress>" echo " path_swconfig_json: [*/swconfig*.json]" echo " debug_mode: [true|false]" echo " print_swconfig: [true|false]" echo " sweep_pro...
d6e9c740e1ccf26d7881a7d685f1ddecd237c5c3a74d518925f93a88dddf3bd7
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#!/bin/sh GPU=1 CUDA_VISIBLE_DEVICES=${GPU} python ../src/main_fast_new.py --GPU --J2=-0 --lr=0.001 --dataname='108_kagome_lattice'\ --savefolder='108_kagome_lattice_pbc_J2_0_f_64_non_local_preact_regularconv_clip_grad_1_lrdecay_4000' --data_dir='../dataset/' --save_dir='../result/Heisenberg/' \ --checkpoint_dir='....
2006dcc42a4d41ffc7cc8da914ee25d4c2ef7abbb844950a2ca3e74c92d0f401
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#!/bin/bash #$ -cwd #$ -R y #$ -l h_fsize=50G #$ -N gene_covariates #$ -o ./summary.out #$ -e ./summary.out echo "**** Job starts ****" date echo "**** JHPCE info ****" echo "User: ${USER}" echo "Job id: ${JOB_ID}" echo "Job name: ${JOB_NAME}" echo "Hostname: ${HOSTNAME}" ## List current modules for reproducibility ...