Stars
All in one Structure-Based Virtual Screening workflow based on the concept of consensus docking.
A simple example on how to create electron GUIs for python programs
Implementation of DiffDock: Diffusion Steps, Twists, and Turns for Molecular Docking
RxDock is a fork of rDock. Note: the latest code is under development. Please do git checkout patched-rdock after clone if you want patched rDock. [IMPORTANT NOTE: pull requests should be posted on…
Open source library to work with molecular systems
Finding the pitfalls of deep learning predictors of interacting residues in antibodies 🦠
🚀 Your next Python package needs a bleeding-edge project structure.
The web framework for content-driven websites. ⭐️ Star to support our work!
A scalable, distributed, collaborative, document-graph database, for the realtime web
Scoring of shape and ESP similarity with RDKit
Front Matter is a CMS running straight in Visual Studio Code. Can be used with static site generators like Hugo, Jekyll, Hexo, NextJs, Gatsby, and many more...
Cookiecutter template for Python packages
FastAPI framework, high performance, easy to learn, fast to code, ready for production
A frontend Framework for single-page applications on top of REST/GraphQL APIs, using TypeScript, React and Material Design
pypyr task-runner cli & api for automation pipelines. Automate anything by combining commands, different scripts in different languages & applications into one pipeline process.
🥑 ArangoDB is a native multi-model database with flexible data models for documents, graphs, and key-values. Build high performance applications using a convenient SQL-like query language or JavaSc…
The Ultimate FREE Machine Learning Study Plan
Extract logic from your apps with a user-friendly node editor powered by React.
Graph / node editor in the browser using VueJS
⚛️ RDKit Python Wheels on PyPI. 💻 pip install rdkit
Rich is a Python library for rich text and beautiful formatting in the terminal.
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.
Design Pattern Examples in Python
Learning design patterns with Jungwoo Ryoo