semvec/pypi-packages huggingface dataset:
say-message 0.0.4
A library that print a message.
Requires Python: >=3.6

# First-Python-Package
A simple pyhton package to say messages

# Goal

Create a package and publish in https://pypi.org

# Installation

`pip install say-message`

# Public repository

https://pypi.org/project/say-message

# Basic Usage

```sh
from say_message.say_message import say_message

if __name__ == "__main__":
    say_message('Hi')
```

# Build the solution

```sh
python -m pip install --user --upgrade setuptools wheel
python setup.py sdist bdist_wheel
python -m pip install --user --upgrade twine
python -m twine upload dist/*
```

# Run test

```sh
python -m unittest
```

  
Change Log
===========

0.0.1 (09/24/2020)
--------------------
-First Release
rs-simtools 0.0.4
OMMTK
Requires Python: >=3.6

# RSSimTools
## OpenMM Wrappers for General and Enhanced MDSimulations

This repo contains several simulation classes wrapped around openMM infrastructure that allow for rapid devlopment and usage of various MD Simulations.

Currently Supported are the following simulations: Minimization, Standard MD (base class); Heating and Equil MD simulations (NVT and NPT respectively), solvent scaled MD, random accelerated MD, and metadynamics MD.


# Installation

Dependencies:

RSSimTools requires very few dependencies. Below is a list you can install with conda or pip:

    python 3.6 or higher
    simtk.openmm
    numpy
    mdtraj
    
To install the latest stable version we recommend using pip with the following command (this is the only method guaranteed to provide a stable version).

    pip install rs-simtools

Alternatively you can download the source from this repo, navigate to the folder containing setup.py and install locally using

    pip install ./
  
# Documentation

## Quickstart run

        # Load packages
        import parmed
        from simtk.openmm import unit
        from rs_simtools import MDSimulation, select_atoms
        
        # Note: Requires parameterized parmed in memory named parmed_structure!

        #instantiate sim from parmed alone, minimize (save h5 file) and run
        mdsim = MDSimulation(parmed_structure=parmed_structure)
        mdsim.minimize()
        minimized_parmed = mdsim.run(2 * unit.nanosecond)

        #build sim using a previous trajectory or h5 file
        mdsim = MDSimulation(parmed_structure=parmed_structure, coordinates=trajectory.h5)

        #build sim with positional restraints, run some equilibration and remove them for longer run
        protein_atoms = select_atoms(parmed_structure=parmed_structure, keyword_selection='protein')
        mdsim = MDSimulation(parmed_structure=parmed_structure, atoms_to_restrain=protein_atoms, restraint_weight=4)
        mdsim.run(1*unit.nanosecond)
        mdsim.update_restraint_weight(2)
        mdsim.run(1*unit.nanosecond)
        mdsim.remove_positional_restraints()
        end_parmed = mdsim.run(4 * unit.nanosecond)
ezexcel 0.1.1
A simple class based xlsx serialization system

![execel logo](https://raw.githubusercontent.com/Descent098/ezexcel/master/.github/logo.png)

# EZ Excel

*A simple class based xlsx serialization system*

## Table of contents
- [Goals](#goals)
- [Installation](#installation)
- [Quick-start](#quick-start)
- [Additional Documentation](#additional-documentation)

## Goals
This project has a few goals:
1. Make OO projects easier to serialize to xlsx
2. Make use of xlsx serialization and deserialization (coming soon) easier
3. Write the simplest to use api for xlsx serialization

## Installation

### From PyPi

1. Run ```pip install ezexcel``` or ```sudo pip3 install ezexcel```

### From source

1. Clone this repo: (https://github.com/Descent098/ez-excel)
2. Run ```pip install .``` or ```sudo pip3 install .```in the root directory


## Quick-start

### Store some animal instances in a spreadsheet called 'animals.xlsx'
```python
from ezexcel import Spreadsheet

class Animal():
    def __init__(self, name:str, conservation_status:str):
        self.name = name
        self.conservation_status = conservation_status

leopard_gecko = Animal('Leopard Gecko', 'Least Concern')

philippine_eagle = Animal('Philippine Eagle', 'Threatened')

with Spreadsheet('animals.xlsx', Animal) as output_sheet:
    output_sheet.store(leopard_gecko, philippine_eagle)
```

### Store a list of instances into a spreadsheet called 'users.xlsx'
```python
from ezexcel import Spreadsheet

import random
import string
from dataclasses import dataclass

@dataclass
class User():
    Name:str
    Age:int
    Weight:int
    Family: list # Note that Iterables will be flattened to a string with newline seperators

instances = []
ranstring = lambda: ''.join(random.choices(string.ascii_uppercase, k=10)) # Generates a random 10 character string
for i in range(1000):
    instances.append(User(ranstring(), random.randint(12,100), random.randint(75,400), [ranstring(), ranstring(), ranstring()]))

with Spreadsheet('users.xlsx', User) as output_sheet:
    output_sheet.store(instances)
```

## Additional Documentation

Additional documentation can be found at https://kieranwood.ca/ezexcel

For details on how contributing to the project, please see [CONTRIBUTING.md](https://github.com/Descent098/ezexcel/blob/master/CONTRIBUTING.md), for details on upcoming changes see [our roadmap](https://github.com/Descent098/ezexcel/projects).

For most recent changes see [CHANGELOG.md](https://github.com/Descent098/ezexcel/blob/master/CHANGELOG.md).
# Changelog

## 0.1.1; September 25th

Fixed logo loading on PyPi

### Bug fixes

- Fixed loading issue with logo on PyPi

## 0.1.0; September 25th

Initial release of EZ Excel

### Features

- Ability to provide a class to instantiate a Spreadsheet
- Ability to pass instances in an iterable of class to Spreadsheet to be serialized
- Automatically flatten Iterable attributes within instances to endline delimited strings
- Added testing suite for all existing functionality

### Documentation improvements

- Wrote all existing documentation :)