Skip to content
#

maccs

Star

Here is 1 public repository matching this topic...

Language: Python
Filter by language
All 2 OCaml 1 Python 1

kuulia / BESPE-MACCS

Star 1

A proof-of-concept type demo of the Binary Encoded SMARTS Pattern Enumeration + Molecular aCCess System molecular descriptor developed as part of Bachelor's Thesis: "Molecular descriptor engineering for machine learning predictions in atmospheric science." Includes a toy data set for demonstrative purposes.

python machine-learning cheminformatics supervised-learning maccs molecular-descriptor thesis-project molecular-descriptors krr vapour-pressure maccs-fingerprint
  • Updated May 21, 2024
  • Python

Improve this page

Add a description, image, and links to the maccs topic page so that developers can more easily learn about it.

Curate this topic

Add this topic to your repo

To associate your repository with the maccs topic, visit your repo's landing page and select "manage topics."

Learn more