Find open-source science resources
A directory of tools, AI models, datasets, and research resources for biotech, bioinformatics, and other scientific fields. Aggregated from curated GitHub awesome-lists, HuggingFace, bio.tools, Bioconductor, and more.
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13 of 5,893 resources
Cross-platform library for differentiable programming of quantum computers with automatic differentiation, enabling hybrid quantum-classical machine learning for quantum chemistry, quantum physics, and NISQ algorithm research (Xanadu, 3k+ stars)
GPU-accelerated differentiable physics simulation engine built on NVIDIA Warp, supporting rigid/soft body, cloth, and gradient-based optimization for scientific ML, initiated by Disney Research, DeepMind, and NVIDIA (Linux Foundation, Apache 2.0, 2025)
Computational fluid dynamics in JAX, enabling differentiable Navier-Stokes simulations with automatic differentiation for ML-accelerated CFD research, supporting turbulence modeling, convection-diffusion, and complex boundary conditions on CPUs and GPUs (Google Research, 947+ stars)
Molecular dynamics analysis
Euclidean neural networks for arbitrary point transformations enabling E(3)-equivariant deep learning, foundational library for building geometry-aware neural networks in molecular dynamics, materials science, and physics
Probabilistic programming
Microsoft's AI-powered ab initio biomolecular dynamics simulation achieving quantum-mechanical accuracy for proteins with 10,000+ atoms, orders of magnitude faster than DFT using protein fragmentation and ML force fields (Nature 2024)
High-performance molecular simulation toolkit
Deep learning package for many-body potential energy representation and molecular dynamics, achieving quantum-mechanical accuracy with classical MD efficiency (DeepModeling, Gordon Bell Prize 2020, 1.9k+ stars)
End-to-end molecular dynamics engine built on PyTorch, enabling differentiable simulations with neural network potentials and GPU acceleration for machine learning-accelerated molecular dynamics (MIT License, 707+ stars)
Graph neural network library for PyTorch enabling molecular modeling, materials discovery, protein interaction networks, and scientific knowledge graph learning (23.7k+ stars)
Deep Graph Library for scalable deep learning on graphs, powering molecular modeling, materials discovery, protein interaction networks, and scientific knowledge graph learning across PyTorch, TensorFlow, and MXNet backends (14K+ stars)
Open-source SDK for working with quantum computers at the level of extended quantum circuits, operators, and primitives, enabling quantum algorithm development for quantum chemistry, materials science, and optimization research (IBM, 7.4K+ stars, Apache 2.0)