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  1. hypothesis-rdkit hypothesis-rdkit Public

    Provides strategies to generate random molecules and molecule representations for the hypothesis testing framework.

    Python 6

  2. extract_pubchem.ipynb extract_pubchem.ipynb
    1
    {
    2
     "cells": [
    3
      {
    4
       "cell_type": "markdown",
    5
       "metadata": {},
  3. impynb impynb Public

    Import jupyter notebooks as Python modules

    Python 2

  4. nerdd nerdd Public

    Forked from molinfo-vienna/nerdd

    Starlark 2

  5. nerdd-link nerdd-link Public

    Forked from molinfo-vienna/nerdd-link

    Python 2

  6. nerdd-module nerdd-module Public

    Forked from molinfo-vienna/nerdd-module

    Base package to create NERDD modules

    Python 2