Pinned Repositories
RamaNet
Preforms De novo protein design using machine learning and PyRosetta to generate a novel protein structure
kPOD
This Python package implements an extension to the k-means clustering algorithm for use with missing data.
padel_robust
PaDEL-robust: A robust version of Python wrapper for PaDEL-Descriptor software
pkspec_streamlit
App for pK spectroscopy (simple yet advanced analysis of materials of the complex acidic nature).
RamaNet
Preforms De novo protein design using machine learning and PyRosetta to generate a novel protein structure
stoned-selfies
This repository contains code for the paper: Beyond Generative Models: Superfast Traversal, Optimization, Novelty, Exploration and Discovery (STONED) Algorithm for Molecules using SELFIES
Sciencealone's Repositories
Sciencealone/kPOD
This Python package implements an extension to the k-means clustering algorithm for use with missing data.
Sciencealone/padel_robust
PaDEL-robust: A robust version of Python wrapper for PaDEL-Descriptor software
Sciencealone/pkspec_streamlit
App for pK spectroscopy (simple yet advanced analysis of materials of the complex acidic nature).
Sciencealone/RamaNet
Preforms De novo protein design using machine learning and PyRosetta to generate a novel protein structure
Sciencealone/stoned-selfies
This repository contains code for the paper: Beyond Generative Models: Superfast Traversal, Optimization, Novelty, Exploration and Discovery (STONED) Algorithm for Molecules using SELFIES