Sciencealone/pkspec_streamlit

App for pK spectroscopy (simple yet advanced analysis of materials of the complex acidic nature).

Language: Python - Size: 126 KB - Last synced at: about 1 month ago - Pushed at: 5 months ago - Stars: 0 - Forks: 0

Sciencealone/stoned-selfies Fork of dwillhelm/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

Language: Jupyter Notebook - Size: 3.38 MB - Last synced at: 10 months ago - Pushed at: 10 months ago - Stars: 0 - Forks: 0

Sciencealone/padel_robust

PaDEL-robust: A robust version of Python wrapper for PaDEL-Descriptor software

Language: Python - Size: 19.4 MB - Last synced at: about 1 year ago - Pushed at: about 1 year ago - Stars: 0 - Forks: 0

Sciencealone/kPOD Fork of hfung4/kPOD

This Python package implements an extension to the k-means clustering algorithm for use with missing data.

Language: Python - Size: 505 KB - Last synced at: about 2 years ago - Pushed at: about 2 years ago - Stars: 0 - Forks: 0

Sciencealone/MSSQL_flask_bokeh

Language: Python - Size: 3.79 MB - Last synced at: about 2 years ago - Pushed at: over 8 years ago - Stars: 1 - Forks: 0