The fundamental package for scientific computing with Python.
- numpy
- python
Repository Index
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PyTorch3D is FAIR's library of reusable components for deep learning with 3D data
A Python implementation of global optimization with gaussian processes.
- optimization
- gaussian-processes
- bayesian-optimization
- python
Qiskit is an open-source SDK for working with quantum computers at the level of extended quantum circuits, operators, and primitives.
- quantum-computing
- qiskit
- sdk
- quantum-programming-language
Eclipse SUMO is an open source, highly portable, microscopic and continuous traffic simulation package designed to handle large networks. It allows for intermodal simulation including pedestrians and comes with a large set of tools for scenario creation.
- traffic
- simulation
- transport
A basic user tool to execute simple docker containers in batch or interactive systems without root privileges.
- docker
- containers
- batch
- user
Cartopy - a cartographic python library with matplotlib support
- cartopy
- matplotlib
- python
- geometry
Deepdrive is a simulator that allows anyone with a PC to push the state-of-the-art in self-driving
- self-driving-car
- tensorflow
- reinforcement-learning
- unreal-engine
Plant phenotyping with image analysis
- science
- bioinformatics
- image-analysis
- plant-phenotyping
FiPy is a Finite Volume PDE solver written in Python
- scientific-computing
- scientific-computing-with-python
- phase-field
- materials-science
Automated Attack Simulation in the Cloud, complete with detection use cases.
Module for statistical learning, with a particular emphasis on time-dependent modelling
- machine-learning
- python
- point-process
- optimization
Generative biopolymer design with rich conditioning.
skimpy is a light weight tool that provides summary statistics about variables in data frames within the console.
- eda
- pandas
- data-science
- exploratory-data-analysis
Unmanned Surface Vehicle simulation on Gazebo with water current and winds
- usv
- boat
- gazebo
- water-surface
Medical LLM agent and MRI segmentation workspace built on PharmaLLM, with LangGraph, vLLM, and BEU-Net.
A Python package for molecular docking with an extensive, highly-curated dataset and a set of realistic benchmark tasks for drug discovery.
TransformerCPI: Improving compound–protein interaction prediction by sequence-based deep learning with self-attention mechanism and label reversal experiments(BIOINFORMATICS 2020) https://doi.org/10.1093/bioinformatics/btaa524
- self-attention
- compound-protein-interaction
- transformercpi
- structure-free-virtual-sreening
Automated 3D brain registration with support for multiple species and atlases.
- registration
- atlases
- brain
- neuroscience
🗺️ List of GeoJSON invalid geometry issues with example files
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
Small size matrix handling module with a few linear algebra operations specifically for MicroPython (Python3)
Nova DSO Tracker is an open-source Flask application for astrophotographers, providing real-time tracking of deep-sky objects' altitude, observability prediction, and integration with Stellarium and SIMBAD databases.
Open-source simulation harness for testing AI agents. Simulate LLM and tool calls to test edge cases, failure paths, and agent logic without live API calls.
- ai-agents
- ai-testing
- llm
- llm-evaluation