RetroChimera
RetroChimera is a model that takes as input a target molecule that one wants to synthesize, encoded as a sequence of characters (using the SMILES notation), and produces several potential chemical reactions which could be…
Discover an index of datasets, SDKs, APIs and open-source tools developed by Microsoft researchers and shared with the global academic community below. These experimental technologies—available through Azure AI Foundry Labs (opens in new tab)—offer a glimpse into the future of AI innovation.
RetroChimera is a model that takes as input a target molecule that one wants to synthesize, encoded as a sequence of characters (using the SMILES notation), and produces several potential chemical reactions which could be…
Codec for converting binary strings into DNA-like sequences over the alphabet {A, C, G, T} while guaranteeing that no symbol repeats more than k times consecutively (length k homopolymer run). The repository ships a fast…
Skala is a neural network-based exchange-correlation functional for density functional theory (DFT), developed by Microsoft Research AI for Science. It leverages deep learning to predict exchange-correlation energies from electron density features, achieving chemical accuracy for…
This repository hosts the official code and data artifact for the “Affective Air Quality” dataset. Details about the user study and data collection can be found in our paper. The dataset released it’s the first to…
Dion is a scalable optimizer that accelerates neural network training by applying orthonormal weight updates using amortized power iteration, which works efficiently on sharded matrices. It reduces communication overhead through low-rank compression and error feedback,…
TrainVerify is a verification tool to ensure parallelization equivalence in distributed model training. It guarantees that the parallelized model is arithmetically equivalent to its original single-device version, thereby eliminating errors such as incorrect tensor transformations or faulty…
The absolute trainer to light up AI agents. We present Agent Lightning, a flexible and extensible framework that enables seamless agent optimization for any existing agent framework.
AI Behavioral Science for Anthropomorphic Agents: toward human‑centric, symbiotic, and autonomous AI. This project centers on evaluating and promoting anthropomorphic intelligence—AI agents with a human-like mindset and a degree of awareness, capable of acting proactively…