TeachOpenCADD: a teaching platform for computer-aided drug design (CADD) using open source packages and data

Calculation of interatomic interactions in molecular structures

bio-transformers is a wrapper on top of the ESM/Protbert model, trained on millions on proteins and used to predict embeddings.

Dask tutorial material for video tutorial series

Python tutorial for estimating and clustering free energy landscapes with InfleCS.

Automatic synthesis of RCTs

A series of Jupyter notebooks that walk you through the fundamentals of Machine Learning and Deep Learning in Python using Scikit-Learn, Keras and TensorFlow 2.

A Practical Introduction to Reproducible Computational Workflows (ISMB/ECCB 2019 Tutorial AM4)

An application that enhances the Windows 10 multiple desktops feature by adding additional keyboard shortcuts and support for multiple wallpapers.

Deep Reinforcement Learning for de-novo Drug Design

Open Drug Discovery Toolkit

Daylight Calendar is a dynamically generated .ics calendar that you can host and subscribe to in Google Calendar, iCal, or other calendar software.

Jupyter metapackage for installation, docs and chat

🔬 Path to a free self-taught education in Bioinformatics!

HTMD: Programming Environment for Molecular Discovery

IPython widget to interactively view molecular structures and trajectories

Structural Bioinformatics Training Workshop & Hackathon 2018

Calculation of interatomic interactions in molecular structures

Open Drug Discovery Toolkit (ODDT) Notebooks 101

Python for Bioinformatics