Pinned Loading

1. BereauLab/Molecule-Optimization-w-Hierarchical-CG-TutorialBereauLab/Molecule-Optimization-w-Hierarchical-CG-TutorialPublic

   Tutorial on molecular discovery with hierarchical coarse-grained models and multi-level Bayesian optimization

   Jupyter Notebook 1 2

2. Android-Web-ScraperAndroid-Web-ScraperPublic

   Android Web Scraper is a simple library for android web automation. Perform web task in background to fetch website data programmatically.

   Kotlin 70 13

3. Str8tsStr8tsPublic

   Game generator and playing website for number puzzles called "Str8ts" (like Sudoku)

   C++ 4

4. GoCaGoCaPublic

   Generate simulation files for structure-based coarse-grained protein models.

   Jupyter Notebook 1

5. graph-enumerationgraph-enumerationPublic

   Python library for the fast, exhaustive enumeration of non-isomorphic, undirected, colored graphs. Built with a C++ core for maximum speed.

   C++

6. logP-predictorlogP-predictorPublic

   Python library for predicting molecular LogP from SMILES using Graph Neural Networks.

   Python 1