Composable transformations of Python+NumPy programs: differentiate, vectorize, JIT to GPU/TPU, and more
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Python framework for creating, editing, and running Noisy Intermediate-Scale Quantum (NISQ) circuits.
- nisq
- quantum-algorithms
- quantum-computing
- cirq
PennyLane is an open-source quantum software platform for quantum computing, quantum machine learning, and quantum chemistry. Create meaningful quantum algorithms, from inspiration to implementation.
MLBox is a powerful Automated Machine Learning python library.
- machine-learning
- auto-ml
- kaggle
- deep-learning
An information security preparedness tool to do adversarial simulation.
- uber
- vagrant
- yaml
- celery
[CONTRIBUTORS WELCOME] Generalized Additive Models in Python
Junction Tree Variational Autoencoder for Molecular Graph Generation (ICML 2018)
Engine for AI/ML/Data tracking, visualization, explainability, drift detection, and dashboards for Polyaxon.
- pandas
- pandas-summary
- dataframes
- data-science
Tools for computational pathology
- machine-learning
- digital-pathology
- computational-pathology
- biomedical-image-processing
The World's Most Comprehensive, Authoritative, and Structured Open Source Data Source Knowledge Base
- mcp
- data-sources
- ai
- awesome-list
ChemML is a machine learning and informatics program suite for the chemical and materials sciences.
- quantum-mechanics
- materials-informatics
- data-science
- machine-learning
Multi-stage Riemannian flow matching for physically valid molecular docking, with GNINA scoring, PoseBusters filtering, CLI inference, and benchmarks.
- alphafold3
- docking
- drug-design
- drug-discovery