PyMOL extension to color AlphaFold structures by confidence (pLDDT).

Rapid generation of high-quality structure figures for publication with PyMOL-PUB

Plugin for folding sequences directly in PyMOL

Official repository of GENzyme

This is the offical codebase to reproduce and use EVOLVEpro, a model for in silico directed evolution of protein activities using few-shot active learning.

Official repository for the Boltz-1 biomolecular interaction model

AlphaFold 3 inference pipeline.

Efficient manipulation of protein structures in Python

Python interface for RCSB.org API services

Making Protein Design accessible to all via Google Colab!

Chai-1, SOTA model for biomolecular structure prediction

The official sources for the RDKit library

Tutorials to learn how to work with the RDKit

A deep-learning-based multiple toolkits (DeTool) approach that uses the inputs of enzymes and substrates for biocatalystic tasks.

Materials for the Learn PyTorch for Deep Learning: Zero to Mastery course.

Qiskit Global Summer School 2024: The Path to Utility

Qiskit is an open-source SDK for working with quantum computers at the level of extended quantum circuits, operators, and primitives.

Notebooks and environment set up for IQB 2024 workshop - Python for Molecular Docking

Zero-shot prediction of mutation effects on protein function with multimodal deep representation learning

Open source code for AlphaFold 2.

Software for biomolecular electrostatics and solvation calculations

Jupyter Notebooks for learning the PyRosetta platform for biomolecular structure prediction and design

Interactive deep learning book with multi-framework code, math, and discussions. Adopted at 500 universities from 70 countries including Stanford, MIT, Harvard, and Cambridge.

Apptainer: Application containers for Linux

Public RFDiffusionAA repo

Ultrafast de novo assembly for long noisy reads (though having no consensus step)

Understanding Deep Learning - Simon J.D. Prince