TensorFlow Tutorial and Examples for Beginners (support TF v1 & v2)

Learn how to design, develop, deploy and iterate on production-grade ML applications.

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.

Your new Mentor for Data Science E-Learning.

Accepted as [NeurIPS 2024] Spotlight Presentation Paper

A better notebook for Scala (and more)

ProtTrans is providing state of the art pretrained language models for proteins. ProtTrans was trained on thousands of GPUs from Summit and hundreds of Google TPUs using Transformers Models.

Code for the ProteinMPNN paper

Protein Graph Library

Practical Cheminformatics Tutorials

Jupyter widget to interactively view molecular structures and trajectories

WebGL accelerated JavaScript molecular graphics library

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

Diffusion models of protein structure; trigonometry and attention are all you need!

Install Conda and friends on Google Colab, easily

NeuralPLexer: State-specific protein-ligand complex structure prediction with a multi-scale deep generative model

Google Colab Tutorials for IBM3202

Protein-ligand structure prediction

Automated machine learning for analyzing, interpreting, and designing biological sequences

OpenMM tutorial for the MSBS course

A python package for chemical space visualization.

Open source Python library for building bioimage analysis pipelines

Explainable AI for Bioinformatics

An Open-Source Molecular Builder and Free Energy Preparation Workflow

PSICHIC (pronounced Psychic) - PhySIcoCHemICal graph neural network for learning protein-ligand interaction fingerprints from sequence data

Structure prediction of alternative protein conformations

Code associated with "Biophysical prediction of protein-peptide interactions and signaling networks using machine learning."