Stars
add-on to plotly which show molecule images on mouseover!
Predicting tandem mass spectra from molecules
Original Apollo 11 Guidance Computer (AGC) source code for the command and lunar modules.
Declarative, type-safe command line argument parsers from dataclasses and attrs classes
An open access book on scientific visualization using python and matplotlib
FS-Mol is A Few-Shot Learning Dataset of Molecules, containing molecular compounds with measurements of activity against a variety of protein targets. The dataset is presented with a model evaluati…
Code for modes and training of DeepZ paper
links to conference publications in graph-based deep learning
🔍 A python library to discover and mitigate biases in machine learning models and datasets 🔍
Python wrapper for the IBM RXN for Chemistry API
Proquints: Identifiers that are Readable, Spellable, and Pronounceable.
The code for the paper *The Sensitivity of Counterfactual Fairness to Unmeasured Confounding* @ UAI 2019
Sumatra is a tool for managing and tracking projects based on numerical simulation and/or analysis, with the aim of supporting reproducible research. It can be thought of as an automated electronic…
The open source developer platform to build AI/LLM applications and models with confidence. Enhance your AI applications with end-to-end tracking, observability, and evaluations, all in one integra…
MacOS system extension that allows applications to pass audio to other applications. Soundflower works on macOS Catalina.
📖 A collection of pure bash alternatives to external processes.
Turn Python scripts into handouts with Markdown and figures
Graph Neural Network Library for PyTorch
Lanczos Network, Graph Neural Networks, Deep Graph Convolutional Networks, Deep Learning on Graph Structured Data, QM8 Quantum Chemistry Benchmark, ICLR 2019
🧠 Laws, Theories, Principles and Patterns for developers and technologists.
Re-editable LaTeX/ typst graphics for Inkscape
Fully hackable text editor developed for exact sciences with built-in KaTeX and AsciiMath support. Extensible via plugins and themes. Exportable as HTML, PDF and GFM.
Latex code for making neural networks diagrams