qbi_mass_spectrometry

Project for 2018 QBI Hackathon

How to run locally

Requirements: Conda Installation with Python 3

Note, if this conda environment does not install, just install the following packages on conda:

flask
numpy
scipy
scikit-learn
pytorch
pyteomics
matplotlib

Name		Name	Last commit message	Last commit date
Latest commit History 83 Commits
R		R
dup		dup
figures		figures
pics		pics
saved_models		saved_models
scripts		scripts
spectranet_website		spectranet_website
static		static
syntheticPeptides		syntheticPeptides
templates		templates
.gitignore		.gitignore
LICENSE		LICENSE
README.md		README.md
TUM_pool_1_9_17_25_33.fasta		TUM_pool_1_9_17_25_33.fasta
TUM_pool_1_9_17_25_33_con.fasta		TUM_pool_1_9_17_25_33_con.fasta
TUM_pool_1_9_17_25_33_con_plus_decoys.fasta		TUM_pool_1_9_17_25_33_con_plus_decoys.fasta
calculate_frag_mz.py		calculate_frag_mz.py
csv_to_sptxt.py		csv_to_sptxt.py
environment.yml		environment.yml
example.KB.sptxt		example.KB.sptxt
get_non_synthetics.sh		get_non_synthetics.sh
mods_aa.txt		mods_aa.txt
only.unused.synth.txt		only.unused.synth.txt
output.csv		output.csv
parse_data.py		parse_data.py
predictions.csv		predictions.csv
predictions.sptxt		predictions.sptxt
run_model.py		run_model.py
sample.py		sample.py
sim.data.csv		sim.data.csv
sim.input.csv		sim.input.csv
sim.output.csv		sim.output.csv
synth.txt		synth.txt
website.py		website.py