semvec/pypi-packages huggingface dataset:
cortalinsight 0.1.6
A command line tool to interact with Cortal Insight API
Keywords: cortal insight cli api

# Cortal Insight CLI Tool

The Cortal Insight CLI Tool is a command-line interface for interacting with the Cortal Insight API, allowing you to manage datasets conveniently through your terminal.


## Setup

## Documentation
Dashboard documentation
Docs / API 

## Installation 
```
pip install cortalinsight
```

or 

```
git clone https://github.com/cortal-insight/cortal-insight-python-client

cd path/to/cortal-insight-python-client

pip install .
```
## Get started

1. Create your account
Sign up in the Cortal Insight dashboard

2. Request your API key for the service

3. Set your API key 
```
cortalinsight setup "YOUR_API_KEY_HERE"
```

## Usage

1. Creating a dataset

```
cortalinsight create_dataset <dataset_name>
```

2. List all datasets
```
cortalinsight list_datasets
```

3. Get dataset by id
```
cortalinsight get_dataset <dataset_id>
```

4. Delete dataset by id
```
cortalinsight delete_dataset <dataset_id>
```

5. Upload images from directory to dataset
```
cortalinsight upload_images_from_dir <dataset_id>  <directory_containing_images>
```

6. Upload zip of images  to dataset
```
cortalinsight upload_zip <dataset_id>  <zip_containing_images>
```
   
7. Upload metadata to dataset
```
cortalinsight upload_metadata <dataset_id>  <file_containing_metadata>
```
   
8. Update metadata to dataset
```
cortalinsight update_metadata <dataset_id>  <file_containing_metadata>
```
   
9. Validate metadata to dataset
```
cortalinsight validate_metadata  <dfile_containing_metadata>
```



This project is licensed under the MIT License - see the LICENSE file for details.
FODLego 0.3.11
This package creates initial FODs for molecules with atoms up to the third row in th periodic table.
Requires Python: >=3.8
Keywords: DFT, FLOSIC, FODs, Fermi-Lowdin, SIC, SIE, self-interaction

# FODLego
This program is meant to predict the FOD Positions of molecules for use in 
FLOSIC calculations.

## Implementation Description:
Currently the bond orders are being predicted using RD Kit. The Bonding FODs 
(BFODs) and Free FODs (FFODs) are selected based of monoatomic calculations and based of the placement of BFODs. A few rules are based of empirical 
rules.

## Prerequisites:
In order to run, please install the following packages in python 

```
$pip install rdkit scipy
```

# Contact:
Please contact me at my university email ville2a@cmich.edu