semvec/pypi-packages huggingface dataset:
FANDAS 2.3.0
Fast Analysis of multidimensional NMR DAta Sets
Requires Python: <3.14,>3.9

# FANDAS

[![License](https://img.shields.io/badge/License-Apache_2.0-blue.svg)](https://opensource.org/licenses/Apache-2.0)
[![unittests](https://github.com/haddocking/fandas/actions/workflows/unittests.yml/badge.svg)](https://github.com/haddocking/fandas/actions/workflows/unittests.yml)
[![Codacy Badge](https://app.codacy.com/project/badge/Coverage/20d8aa34d5fa4922be588b5800d2e097)](https://app.codacy.com/gh/haddocking/fandas/dashboard?utm_source=gh&utm_medium=referral&utm_content=&utm_campaign=Badge_coverage)
[![Codacy Badge](https://app.codacy.com/project/badge/Grade/20d8aa34d5fa4922be588b5800d2e097)](https://www.codacy.com/gh/haddocking/fandas/dashboard?utm_source=github.com&utm_medium=referral&utm_content=haddocking/fandas&utm_campaign=Badge_Grade)

![fandas-logo](https://raw.githubusercontent.com/haddocking/fandas/refs/heads/main/imgs/logo.png)

## ATTENTION

The publication of [FANDAS](https://doi.org/10.1007/978-1-4939-7386-6_6) refers to
its **original release** available at <https://github.com/siddarthnarasimhan/FANDAS_2.0>.

The present code contains changes made to the original code base and might
not reflect the description given in its original publication.

## Web Service

This tool is also available as a web-service! Check it out at [wenmr.science.uu.nl/fandas](https://wenmr.science.uu.nl/fandas)

## Introduction

**F**ast **AN**lysis of multidimensional NMR **DA**ta **S**ets (**FANDAS**)
is an analysis tool built on Python to predict peaks in multidimensional
NMR experiments on proteins.

**FANDAS** accepts a variety of inputs, with the protein sequence being the only
minimum required input. The output generated by FANDAS can be opened using the
NMR visualization software SPARKY.

## Installation

```text
pip install fandas
fandas -h
```

See the [Example directory](https://github.com/haddocking/fandas/tree/main/example)
for an usage example.

## Citation

- Narasimhan, S., Mance, D., Pinto, C., Weingarth, M., Bonvin, A. M. J. J.
  & Baldus, M. [Rapid Prediction of Multi-dimensional NMR Data Sets Using FANDAS](https://doi.org/10.1007/978-1-4939-7386-6_6).
  Methods in Molecular Biology 111–132 (2017). doi:10.1007/978-1-4939-7386-6_6
dynflow 0.1.0
Add your description here
Requires Python: >=3.11

## Creating a Registry

To create a registry follow the example below:

```python
from typing import Any, Dict, Protocol, Tuple, runtime_checkable

from dynflow import Registry


@runtime_checkable
class BaseComponent(Protocol):
    def run(self, args: Tuple[Any], **kwargs: Dict[str, Any]) -> Any: ...


registry = Registry("ComponentRegistry", BaseComponent)
```

## How to Register Componnets

```python

from file1.py import registry

@registry.register('MyComponent1')
class MyComponent1:
    def run(self, args: Tuple[Any], **kwargs: Dict[str, Any]) -> Any:
        print("Running MyComponent with args:", args, "and kwargs:", kwargs)


@registry.register('MyComponent2')
class MyComponent2:
    def run(self, args: Tuple[Any], **kwargs: Dict[str, Any]) -> Any:
        print("Running MyComponent with args:", args, "and kwargs:", kwargs)        
```


## Config File Examples

1. JSON Format
   See [config.json](example/config.json) for an example of a JSON configuration file.

2. YAML Format
   See [config.yml](example/config.yml) for an example of a YAML configuration file.

3. CFG Format
   See [config.cfg](example/config.cfg) for an example of a CFG configuration file.

## For building build Pipeline from list of components use [example](example/pipeline.py)


## How to maintain
1. Running unit-tests `python -m unittest discover -s tests` 
2. Removing Cache files `pyclean -d jupyter package ruff -v .`
open-hypergraphs 0.1.3
open hypergraphs
Requires Python: >=3.8

# Open Hypergraphs

[![Documentation Status](https://readthedocs.org/projects/open-hypergraphs/badge/?version=latest)](https://open-hypergraphs.readthedocs.io/en/latest/?badge=latest)

Yet another implementation of open hypergraphs for string diagrams