Community-maintained Boltz fork with bug fixes, broader compatibility, and CI.

A minimal PyTorch re-implementation of AlphaFold2's model & training

📐 Symmetry-corrected RMSD in Python

🧟 Inject bugs and see if your tests catch them!

a high-throughput alchemical free energy execution system for use with HPC, cloud, bare metal, and Folding@Home

Robust and Straight-Forward solution for reading difficult and tricky QR codes within images in Python. Powered by YOLOv8

A collection of learning resources for curious software engineers

Print-friendly, minimalist CV page

Visual Interactive Analysis of Molecular Dynamics

Split your file into encrypted fragments so that you don't need to remember a passcode

The LLM Evaluation Framework

Command-line tool to inspect the difference between (the text in) two PDF files

OpenChem: Deep Learning toolkit for Computational Chemistry and Drug Design Research

Source code accompanying the 'MF-PCBA: Multi-fidelity high-throughput screening benchmarks for drug discovery and machine learning' paper

A script to monitor stacked k8s etcd instances, and remove them on node termination.

RDKit Docker images

🔑 Export you passwords from Keychain to CSV for another password keepers (LassPass, 1Password, BitWarden) works with MacOS Mojave

A guide describing how to setup Redux in a generic way to facilitate up to 90% of your api calls

Display PDFs in your React app as easily as if they were images.

Wix detox sample(https://github.com/wix/detox) with post clone script for App Center builds.

Protein order and disorder data for Keras, Tensor Flow and Edward frameworks with automated update cycle made for continuous learning applications.

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

a function of experience divided by time

WordPress using Node, React, GraphQL, and Apollo

A self-contained JavaScript wiki for the browser, Node.js, AWS Lambda etc.

Capture website screenshots

Computer Aided Drug Discovery (CADD) GRC 2013 - slides, references, and examples

Code from my GRC talk and the subsequent hands-on session

Bash shells in named emacs buffers; keeps separate histories for each shell.