Code Monkey home page Code Monkey logo

acsess's Introduction

ACSESS

ACSESS (Algorithm for Chemical Space Exploration with Stochastic Search) is a software written in Python developed by Dr. Aaron M. Virshup in Beratan Group in 2013, which is mainly for chemical space exploration and applied in drug and material design with explicit filters defined during exploration. This repositary is mainly for a brand new version of ACSESS, with RDKit implemented in place of previous Openeye Omega software.

DEPENDENCY

To run ACSESS, you need to have the following dependencies and softwares pre-configured:

  1. Python (ACSESS is written in 2.7.14)
  2. RDKit Python libraries (2018.9 version)
  3. Numpy and Scipy math Python libraries
  4. For Tautomerizing: MolVS 0.1.0

acsess's People

Contributors

jlteunissen avatar tacsy avatar

Stargazers

 avatar  avatar

Recommend Projects

  • React photo React

    A declarative, efficient, and flexible JavaScript library for building user interfaces.

  • Vue.js photo Vue.js

    ๐Ÿ–– Vue.js is a progressive, incrementally-adoptable JavaScript framework for building UI on the web.

  • Typescript photo Typescript

    TypeScript is a superset of JavaScript that compiles to clean JavaScript output.

  • TensorFlow photo TensorFlow

    An Open Source Machine Learning Framework for Everyone

  • Django photo Django

    The Web framework for perfectionists with deadlines.

  • D3 photo D3

    Bring data to life with SVG, Canvas and HTML. ๐Ÿ“Š๐Ÿ“ˆ๐ŸŽ‰

Recommend Topics

  • javascript

    JavaScript (JS) is a lightweight interpreted programming language with first-class functions.

  • web

    Some thing interesting about web. New door for the world.

  • server

    A server is a program made to process requests and deliver data to clients.

  • Machine learning

    Machine learning is a way of modeling and interpreting data that allows a piece of software to respond intelligently.

  • Game

    Some thing interesting about game, make everyone happy.

Recommend Org

  • Facebook photo Facebook

    We are working to build community through open source technology. NB: members must have two-factor auth.

  • Microsoft photo Microsoft

    Open source projects and samples from Microsoft.

  • Google photo Google

    Google โค๏ธ Open Source for everyone.

  • D3 photo D3

    Data-Driven Documents codes.