# rdkit_chem

**Repository Path**: digital_innovation_luo_kui/rdkit_chem

## Basic Information

- **Project Name**: rdkit_chem
- **Description**: No description available
- **Primary Language**: Unknown
- **License**: BSD-3-Clause
- **Default Branch**: master
- **Homepage**: None
- **GVP Project**: No

## Statistics

- **Stars**: 0
- **Forks**: 0
- **Created**: 2021-12-09
- **Last Updated**: 2024-06-12

## Categories & Tags

**Categories**: Uncategorized

**Tags**: None

## README


# rdkit-chem gem

GEM for [RDKIT](http://rdkit.org/), an Open-Source Cheminformatics Software

## Environment

### Prerequisites
  * cmake 3.8 or later
  * curl
  * tar, sed, make (those should be present anyway)
  * SWIG 2 or later
  * python header (`python-dev`)
  * sqlite (`sqlite3-dev`)
  * boost > 1.58 (`libboost-all-dev`)
  * gcc -  **no later than 9.3.0, current code does not work with gcc-10**
  

## Install
`gem install rdkit_chem`

It downloads the sources, compiles and installs RDKIT with the ruby bindings.
The installation may last very long - please be patient.