Pinned Loading

1. onglai-classify-homologues onglai-classify-homologues Public

   OngLai: A cheminformatics algorithm to classify homologous chemical series

   Python 7 5

2. UVCB-MInChI UVCB-MInChI Public

   Forked from ninasachdev/UVCB-MInChI

   Contains code for encoding UVCBs (mixtures) into machine-readable formats (MInChIs)

   Python

3. COCONUT_mongodb_goodies_2.ipynb COCONUT_mongodb_goodies_2.ipynb

   1

   {

   2

    "cells": [

   3

     {

   4

      "cell_type": "markdown",

   5

      "id": "f214cd96",