Official implementation of Sharpness-Aware Flow Matching

Generative Modeling with Flux Matching

PyMOL plugin - drive PyMOL from Claude Code, Cursor, or any MCP client.

Geometric Byte Pair Encoding of Protein Structure (ICLR 2026)

SwitchCraft: A Programmatic Framework for Designing State-Switching Proteins

Strong Stochastic Flow Maps.

AutoScientists: Self-Organizing Agent Teams for Long-Running Scientific Experimentation

Uncertainty quantification (UQ) for Machine-Learning Interatomic Potentials (MLIPs)

Official pytorch repository for "Diffusion Posterior Sampling for General Noisy Inverse Problems"

Genie 3 is a fast, all-atom SE(3)-equivariant diffusion model for protein design. It achieves state-of-the-art performance on unconditional generation, motif scaffolding, and binder design while re…

Antibody structure prediction model for sampling conformational ensembles

Terminal protein structure viewer — interactive 3D visualization of PDB/mmCIF structures with cartoon ribbons, braille rendering, and Sixel/Kitty graphics

CryoBoltz code for protein structure prediction with cryo-EM guidance. NeurIPS 2025.

A high-performance toolkit for atomistic simulations in JAX.

Protein and nucleic acid validation service

Training Neural Network potentials through customizable routines in JAX.

Fully-Differentiable Tensor Spherical Harmonics in JAX

Code for the DISCO model: General Multimodal Protein Design Enables DNA-Encoding of Chemistry

A pure-Python implementation of the Nvidia CuTe layout algebra intended to be approachable and easy to learn.

Public FSM implementation with support for ML-based potential energy surfaces

A benchmark for comprehensive evaluation on protein structure tokenization methods

KV cache compression via block-diagonal rotation. Beats TurboQuant: better PPL (6.91 vs 7.07), 28% faster decode, 5.3x faster prefill, 44x fewer params. Drop-in llama.cpp integration.

The Official repo for Self-Conditioned Denoising for Atomistic Representation Learning