Skip to content

Commit

Permalink
Merge branch 'master' of https://github.com/Sulstice/global-chem
Browse files Browse the repository at this point in the history
  • Loading branch information
Sulstice committed Feb 15, 2022
2 parents e01952b + 0cd6519 commit ffb66a9
Showing 1 changed file with 5 additions and 2 deletions.
7 changes: 5 additions & 2 deletions README.md
Expand Up @@ -13,8 +13,8 @@ Global-Chem: Collections of common small molecules and their SMILES/SMARTS to su
[![Downloads](https://pepy.tech/badge/global-chem)](https://pepy.tech/project/global-chem)
[![PEP8](https://img.shields.io/badge/code%20style-pep8-orange.svg)](https://www.python.org/dev/peps/pep-0008/)

Global Chem is an open-source graph record collection for common and rare chemical lists using IUPAC as input and SMILES/SMARTS as output. As
mostly needed by myself as I search through chemical infinity.
Global Chem is an open-source graph database and api for common and rare chemical lists using IUPAC as input and SMILES/SMARTS as output. As
mostly needed by myself as I search through chemical infinity.

I have found these lists written in history to be useful, they come from a variety of different fields but are aggregated
into the most common format of organic chemists (IUPAC) and the common language of the cheminformatician (SMILES) and for
Expand Down Expand Up @@ -129,6 +129,9 @@ gc.build_global_chem_network(print_output=True)
},
```

The algorithm uses a series of parents/children to connect nodes instead of "edges" as in traditional graph networks. This just makes it easier to code if
the graph database lives as a 1-dimensional with lists of parents and childrens connected in this fashion.

#### Fetch the Node:

```python
Expand Down

0 comments on commit ffb66a9

Please sign in to comment.