chemdistiller | a modified tandem MS spectrum annotation software | Data Labeling library

by Mrqeoqqt Python Version: Current License: No License

X-Ray Key Features Code Snippets Community Discussions(3)Vulnerabilities Install Support

kandi X-RAY | chemdistiller Summary

chemdistiller is a Python library typically used in Artificial Intelligence, Data Labeling applications. chemdistiller has no bugs, it has no vulnerabilities, it has build file available and it has low support. You can download it from GitHub.

a modified tandem MS spectrum annotation software

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Support

chemdistiller has a low active ecosystem.

It has 4 star(s) with 0 fork(s). There are 1 watchers for this library.

It had no major release in the last 6 months.

There are 4 open issues and 0 have been closed. There are no pull requests.

It has a neutral sentiment in the developer community.

The latest version of chemdistiller is current.

Quality

chemdistiller has no bugs reported.

Security

chemdistiller has no vulnerabilities reported, and its dependent libraries have no vulnerabilities reported.

License

chemdistiller does not have a standard license declared.

Check the repository for any license declaration and review the terms closely.

Without a license, all rights are reserved, and you cannot use the library in your applications.

Reuse

chemdistiller releases are not available. You will need to build from source code and install.

Build file is available. You can build the component from source.

Installation instructions are not available. Examples and code snippets are available.

Top functions reviewed by kandi - BETA

kandi has reviewed chemdistiller and discovered the below as its top functions. This is intended to give you an instant insight into chemdistiller implemented functionality, and help decide if they suit your requirements.

Run annotation
Returns negative mode adducts
Returns a list of positive mode adducts
Return the adduct with the given name
Imports the DistilledChemicalDatabase from a ST2RawData file
This function parses a string and returns a list of frag charges
Convert ini format to a list of values
Convert a formula to a numpy array
Sets up the scores
Determine if a test record is rejected
Process a MSP file
Condense a linear SVM ws
Calculate isotopic patterns
Generates the SDF from a list of atoms
Process a single SVM type
Configure scorer
Convert an inchikey string to a dictionary
Process MSP files
Retrieve records from hdf5 file
Configure Scorer
Parse the parsed arguments
Process a single candidate candidate
Generate test scripts
Calculate the total number of atoms in a formula
Return a string representation of an object
Import libSVM model

Get all kandi verified functions for this library.

chemdistiller Key Features

No Key Features are available at this moment for chemdistiller.

chemdistiller Examples and Code Snippets

No Code Snippets are available at this moment for chemdistiller.

Community Discussions

Trending Discussions on Data Labeling

How can I do this split process in Python?

Replacing a character with a space and dividing the string into two words in R

Azure ML FileDataset registers, but cannot be accessed for Data Labeling project

QUESTION

How can I do this split process in Python?

Asked 2021-Dec-30 at 14:06

I'm trying to make a data labeling in a table, and I need to do it in such a way that, in each row, the index is repeated, however, that in each column there is another Enum class.

What I've done so far is make this representation with the same enumerator class.

A solution using the column separately as a list would also be possible. But what would be the best way to resolve this?

...

ANSWER

Answered 2021-Dec-30 at 13:57

Instead of using Enum you can use a dict mapping. You can avoid loops if you flatten your dataframe:

Source https://stackoverflow.com/questions/70532286

QUESTION

Replacing a character with a space and dividing the string into two words in R

Asked 2020-Nov-18 at 07:32

I have a dataframe that contains a column that includes strings separeted with semi-colons and it is followed by a space. But unfortunately in some of the strings there is a semi-colon that is not followed by a space.

In this case, This is what i'd like to do: If there is a space after the semi-colon we do not need a change. However if there are letters before and after the semi-colon, we should change semi-colon with space

i have this:

...

ANSWER

Answered 2020-Nov-16 at 07:24

Try something like:

Source https://stackoverflow.com/questions/64853962

QUESTION

Azure ML FileDataset registers, but cannot be accessed for Data Labeling project

Asked 2020-Oct-28 at 20:31

Objective: Generate a down-sampled FileDataset using random sampling from a larger FileDataset to be used in a Data Labeling project.

Details: I have a large FileDataset containing millions of images. Each filename contains details about the 'section' it was taken from. A section may contain thousands of images. I want to randomly select a specific number of sections and all the images associated with those sections. Then register the sample as a new dataset.

Please note that the code below is not a direct copy and paste as there are elements such as filepaths and variables that have been renamed for confidentiality reasons.

...

ANSWER

Answered 2020-Oct-27 at 22:39

Is the data behind virtual network by any chance?

Source https://stackoverflow.com/questions/64546521

Community Discussions, Code Snippets contain sources that include Stack Exchange Network

Vulnerabilities

No vulnerabilities reported

Install chemdistiller

You can download it from GitHub.
You can use chemdistiller like any standard Python library. You will need to make sure that you have a development environment consisting of a Python distribution including header files, a compiler, pip, and git installed. Make sure that your pip, setuptools, and wheel are up to date. When using pip it is generally recommended to install packages in a virtual environment to avoid changes to the system.

Support

For any new features, suggestions and bugs create an issue on GitHub. If you have any questions check and ask questions on community page Stack Overflow .

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