Stars
Entropy Based Sampling and Parallel CoT Decoding
Boltzmann Generators and Normalizing Flows in PyTorch
Machine learning algorithms for many-body quantum systems
A comprehensive library for computational molecular biology
Multiple Protein Structure Alignment at Scale with FoldMason
Improved sampling via learned diffusions (ICLR2024) and an optimal control perspective on diffusion-based generative modeling (TMLR2024)
BCC - Tools for BPF-based Linux IO analysis, networking, monitoring, and more
Universal Tensor Operations in Einstein-Inspired Notation for Python.
A simple way to keep track of an Exponential Moving Average (EMA) version of your pytorch model
depyf is a tool to help you understand and adapt to PyTorch compiler torch.compile.
A Modular Architecture for Deep Learning Systems
A generative model for programmable protein design
Implementation of E(n)-Equivariant Graph Neural Networks, in Pytorch
TorchCFM: a Conditional Flow Matching library
A quasi Monte Carlo inchworm impurity solver for multi-orbital models
MCHMC: sampler from an arbitrary differentiable distribution
Generation of protein sequences and evolutionary alignments via discrete diffusion models
A playbook for systematically maximizing the performance of deep learning models.
AWS ParallelCluster is an AWS supported Open Source cluster management tool to deploy and manage HPC clusters in the AWS cloud.
A Non-Equilibrium Dynamical Mean-Field Theory Engine in Julia
Official repository for discrete Walk-Jump Sampling (dWJS)
Implementation for SE(3) diffusion model with application to protein backbone generation
Consistency models trained on CIFAR-10, in JAX.
Tools for building equivariant polynomials on reductive Lie groups.
Implementation of DiffDock: Diffusion Steps, Twists, and Turns for Molecular Docking
KErnel OPerationS, on CPUs and GPUs, with autodiff and without memory overflows