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Tacsy / ACSESS

ACSESS is the Algorithm for Chemical Space Exploration with Stochastic Search, which is developed by Dr. Aaron M. Virshup in Beratan Group.

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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

About

ACSESS is the Algorithm for Chemical Space Exploration with Stochastic Search, which is developed by Dr. Aaron M. Virshup in Beratan Group.

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Language:Python 52.2%Language:C 46.3%Language:C++ 1.4%Language:Makefile 0.2%