. ├── configs/ # Configuration files (default.yaml) ├── core/ # Core modules (dynamics, paths, diffusion schedules, simulators) ├── experiment_data/ # 📊 Raw flight logs (.txt) and trajectory plots ...

Following identification of a disease-causing protein, rational drug discovery aims to design a ligand that binds to the protein target with high specificity and affinity to mitigate disease effects.

The official code for the paper DPM-Solver: A Fast ODE Solver for Diffusion Probabilistic Model Sampling in Around 10 Steps (Neurips 2022 Oral) and DPM-Solver++: Fast Solver for Guided Sampling of ...

Image generators are designed to mimic their training data, so where does their apparent creativity come from? A recent study suggests that it’s an inevitable by-product of their architecture. We were ...

In this article, I would like to present my own perspective on the Diffusion Model, a core technology of image generation AI, by connecting it to a worldview involving "cosmic principles" and ...

Structure-based drug design is a critical field in chemistry and biology, and recent advancements in machine learning have significantly enhanced the generation of ligands with high binding affinities ...

Diffusion models have emerged as a powerful approach in generative AI, producing state-of-the-art results in image, audio, and video generation. In this in-depth technical article, we’ll explore how ...

Abstract: In recent years, score-based diffusion models have emerged as effective tools for estimating score functions from empirical data distributions, particularly in integrating implicit priors ...