Stars
AI molecular design tool for de novo design, scaffold hopping, R-group replacement, linker design and molecule optimization.
Utilities for working with datasets of chemical reactions, reaction templates and template extraction.
🔥 ~6x faster, stricter, configurable, extensible, and beautiful drop-in replacement for golint
A Rich-compatible library for writing pixel images and ASCII art to the terminal.
Manim plugin designed to make chemistry animations easier.
Atomic Simulation Environment - mirrored from https://gitlab.com/ase/ase
Curses based ASCII molecule viewer for terminals.
A tool for 2D protein visualization aimed at improving the comparability of protein structures through standardized 2D visualizations.
Curated list of resources for processing patent data
pytoda - PaccMann PyTorch Dataset Classes. Read the docs: https://paccmann.github.io/paccmann_datasets/
Collection of data sets of molecules for a validation of properties inference
RXNMapper: Unsupervised attention-guided atom-mapping. Code complementing our Science Advances publication on "Extraction of organic chemistry grammar from unsupervised learning of chemical reactio…
Universal cheminformatics toolkit, utilities and database search tools
A PyTorch and TorchDrug based deep learning library for drug pair scoring. (KDD 2022)
A lightweight python-only library for reading and writing SMILES strings
The lean application framework for Python. Build sophisticated user interfaces with a simple Python API. Run your apps in the terminal and a web browser.
Rich is a Python library for rich text and beautiful formatting in the terminal.
Render markdown on the CLI, with pizzazz! 💅🏻
Style definitions for nice terminal layouts 👄
The glamourous AI coding agent for your favourite terminal 💘
A polyglot document intelligence framework with a Rust core. Extract text, metadata, and structured information from PDFs, Office documents, images, and 50+ formats. Available for Rust, Python, Rub…
Showcase your skills on your Github readme or resumé with ease ✨
Effortlessly build beautiful command-line apps