Causal AI Scientist (CAIS) is an LLM-powered tool for generating data-driven answers to natural language causal queries.

Causal Discovery in Python. Learning causality from data.

AI agents running research on single-GPU nanochat training automatically

The macro-micro-coupling tool for coupled molecular-continuum flow simulation

Democratizing Deep-Learning for Drug Discovery, Quantum Chemistry, Materials Science and Biology

The AI Scientist: Towards Fully Automated Open-Ended Scientific Discovery 🧑‍🔬

A general cross-platform tool for preparing simulations of molecules and complex molecular assemblies

The Arcade Learning Environment (ALE) -- a platform for AI research.

Code example for a Physics Enforced Neural Network for Polymer Melt Viscosity

Python Client for OpenSearch

🔎 Open source distributed and RESTful search engine.

ml-commons provides a set of common machine learning algorithms, e.g. k-means, or linear regression, to help developers build ML related features within OpenSearch.

Simulation inputs and parameter files used in the study "Force-Field Benchmark for Polydimethylsiloxane: Density, Heat Capacities, Isothermal Compressibility, Viscosity and Thermal Conductivity".

Generative Flow Networks - GFlowNet

GFlowNet library specialized for graph & molecular data

A sequence of Jupyter notebooks featuring the "12 Steps to Navier-Stokes" http://lorenabarba.com/

Repository for code and data related to Osmo publications.

[ICCV2021] Official PyTorch implementation of Segmenter: Transformer for Semantic Segmentation

Inference code for LLaMA models

Distributed Synergy AI Benchmarking

An AI-based Automatic Test-Grader