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Tags: Science and math
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145–168 of 177 · 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

A weather server supporting Campbell Scientific and Davis Instruments stations with lots of data-sharing options

Deciphering cell-cell communication from spatially resolved transcriptomic data at single-cell resolution with subgraph-based attentional graph neural network

Qurry (was) a prototype for a functional quantum programming language. It incorporated many aspects of functional programming (Haskell, Clojure), but also took standard design philosophies from C++, Python, and other "traditional" languages. [category: quantum]

PyTorch implementation of "TGSA: Protein-Protein Association-Based Twin Graph Neural Networks for Drug Response Prediction with Similarity Augmentation"

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.

An ordinary differential equation solving library in golang.

  • ode
  • solving-library
  • multivariate
  • differential-equations

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