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Tags: Science and math
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145–168 of 174 · Most stars

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

NASA/JPL SPICE Toolkit for C – patched for cross-platform compatibility

  • astronomy
  • astronomical-algorithms
  • celestial-mechanics
  • nasa

Java Scientific Computing Library - Signal Processing, FFT, Filters, PSD, DCT, SciPy-like APIs for JVM & Android used in Machine Learning and Data Science.

Computer Algebra for microcontrollers using https://github.com/micropython/micropython

Coq formalization of algorithms due to Tarjan and Kosaraju for finding strongly connected graph components using Mathematical Components and SSReflect [maintainers=@CohenCyril,@palmskog]

  • coq
  • mathcomp
  • ssreflect
  • tarjan-algorithm

Coqtail is a library of mathematical theorems and tools proved inside the Coq proof assistant. Results range mostly from arithmetic to real and complex analysis. [maintainer=@jmadiot]

  • coq
  • complex-analysis
  • real-analysis

mrQA: tools for quality assurance in medical imaging datasets, including protocol compliance

  • qa
  • mri
  • neuroimaging
  • niqc

DetecDiv provides a comprehensive set of tools to analyze time microscopy images using deep learning methods. The software structure is such that data can be processed either at the command line or using a graphical user-interface. Detecdiv classification models include : image classification and regression, semantic segmentation, LSTM networks to analyze data and image timeseries.