Python library for adaptive experiment design with state-of-art ML tools

AlphaFold 3 inference pipeline.

A tool to optimize real world problems

A Python package for processing molecules with RDKit in scikit-learn

Experimental design and (multi-objective) bayesian optimization.

emerald cloud lab

Fast Bayesian optimization, quadrature, inference over arbitrary domain with GPU parallel acceleration

Wide-Spectrum Enzyme-Substrate Interactions from Multi-Task Recommendations using Protein Language Models

The GUI for Milvus

Approximate Nearest Neighbors in C++/Python optimized for memory usage and loading/saving to disk

Apify command-line interface helps you create, develop, build and run Apify actors, and manage the Apify cloud platform.

Differentiable ODE solvers with full GPU support and O(1)-memory backpropagation.

Newton and Quasi-Newton optimization with PyTorch

Python module for polyhedral geometry

Minimum-distortion embedding with PyTorch

A comprehensive library for computational molecular biology

Quadrature Fourier Features

Quadratic Programming Solver

Python toolbox for optimization on Riemannian manifolds with support for automatic differentiation