semvec/pypi-packages huggingface dataset:
github-fluent-api 0.0.1
GitHub API
License: MIT
Requires Python: >=3.12.10
Keywords: fluent github api client

# GitHub API

Fluent GitHub API generated from OpenAPI spec.

## Installation

```bash
pip install github-fluent-api
```

## Usage

```python
from github_fluent_api import GitHubAPI

gh = GitHubAPI(api_key=...)

issues = gh.repos.issues.list(
    owner="foo",
    repo="bar",
    creator="kenny",
    assignee="spenny",
    direction="desc",
    labels="bug,ui,@high",
    mentioned="bobby",
    milestone=123,
    page=1,
    per_page=100,
    since="2025-04-23T00:00:00Z",
    sort="created",
    state="open",
)

for issue in issues:
    print(issue.number, issue.title)

```
synspace 1.0.0
Generative model based on forward synthesis rules
License: MIT

# synspace

**This is early-stage code that is in progress. It is in flux**

This package generates a local chemical space around a given molecule using retro and forward synthesis rules. The reactions used are the 50 robust medchem reactions proposed by [Hartenfeller et al.](https://pubs.acs.org/doi/10.1021/ci200379p). The retrosynthesis is done by reversing the 50 robust reactions. The purchasable building blocks come from the [Purchasable Mcule supplier building block catalogs](https://mcule.com/database/). All of these things can be customized though. 

<img src="https://user-images.githubusercontent.com/908389/212747862-577182f2-a880-46ec-a0e1-33fe7f5d9987.png" alt="chemical space showing a molecule space that is predicted not to cross the blood brain barrier along with three synthetically feasible modifications" width=500>


## Installation

```sh
pip install synspace
```

## Usage

Generate local chemical space given a SMILES string
```py
mols, props = synspace.chemical_space('CCC=O')
```
`props` contains information like the synthesis route for the molecules. Note that all synthesis routes are relative to the given molecule (it is assumed to be synthetically feasible). 


## Citation

Cite the ChemCrow paper for now. Haven't really written up much on this package.

```bibtex
    @article{bran2023chemcrow,
  title={Chemcrow: Augmenting large-language models with chemistry tools},
  author={Bran, Andres M and Cox, Sam and Schilter, Oliver and Baldassari, Carlo and White, Andrew D and Schwaller, Philippe},
  journal={arXiv preprint arXiv:2304.05376},
  year={2023}
}

Also, this idea is similar to [Dolfus et al.](https://pubs.acs.org/doi/10.1021/acs.jcim.2c00246)

## NOTICE

This product includes software developed by Pat Walters (MIT Licensed)
https://github.com/PatWalters/useful_rdkit_utils
Copyright (c) 2022 Pat Walters