joewandy/peak-grouping-alignment

Hi 👋 I'm Joe.

I work on applying machine learning in computational biology domain, mostly in metabolomics and multi-omics data analysis.

All my work are available on this GitHub. I also published in computational biology and bioinformatics journals journals, as well as presenting in workshops and conferences. I don't do as much of that anymore in the industry, so most of my open-source works can be found in this GitHub profile.

I’m currently working on :

• Discovering substructures in tandem mass spectrometry data using MS2LDA and pySubstructures.
• Omics data integration framework through GraphOmics and pyMultiOmics.

Other past projects that you may find interesting:

• Developing novel fragmentation strategies in metabolomics via ViMMS and ViMMS-gym.
• Bayesian adaptive clinical trial design via pyBasket.

📫 How to reach me: [email protected], or via twitter.

peak-grouping-alignment's Issues

mate is set object not dict

In matching.py

mate = self.hungarian_matching(self.men, self.women, score_arr)

is a set object not dict, convert it to dict for next step.....

Something like below

if self.options.exact_match:
mate = self.hungarian_matching(self.men, self.women, score_arr)

        returndict= dict()

        for uu in list(mate):
            lk= uu[0]
            kl= uu[1]
            dict1= {lk: kl}
            returndict.update(dict1)


        row_id = 0
        for key, value in returndict.items():
            print(key)
            print(value)