Code for Crystal Graph Convolutional Neural Networks

Python client library for Google Maps API Web Services

Python tool for converting files and office documents to Markdown.

Graph Data Augmentation Library for PyTorch Geometric

A retro game engine for Python

Python package for conformal prediction

Prediction molecular structure from NMR spectra

🧪📈 🐍. The purpose of the panel-chemistry project is to make it really easy for you to do DATA ANALYSIS and build powerful DATA AND VIZ APPLICATIONS within the domain of Chemistry using using Python…

RadonPy is a Python library to automate physical property calculations for polymer informatics.

Modern, extensible Python project management

AI molecular design tool for de novo design, scaffold hopping, R-group replacement, linker design and molecule optimization.

The easiest library for creating GUIs in Python

Sample code for "Predicting polymer-solvent miscibility using machine-learned Flory-Huggins interaction parameters

A powerful and flexible machine learning platform for drug discovery

Yet Another Upload Release Asset Action

install & import するだけで matplotlib を日本語表示対応させる

書籍「最短コースでわかるPyTorch深層学習プログラミング」用サポートサイト

Create *beautiful* command-line interfaces with Python

Fast calculation of hydrogen-bond strengths and free energy of hydration of small molecules.

Responsive, simple, clean and content-focused Hugo theme based on the MH Magazine lite WordPress theme

🚀 Netlify deploy from GitHub Actions

GitHub Actions for GitHub Pages 🚀 Deploy static files and publish your site easily. Static-Site-Generators-friendly.

Message Passing Neural Networks for Molecule Property Prediction

Supplementary Data for "A graph representation of molecular ensembles for polymer property prediction"

A JupyterLab plugin implementing the XSMILES visualization

Visualize atom and non-atom attributions and SMILES strings

Tutorials & examples for Arm software development tools.

A Bootstrap HTML template for blog homepages - created by Start Bootstrap