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Tags: Science and math
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289–312 of 345 · Most stars

💬 Trace citation chains for any concept across research papers and render them as an interactive graph.

  • academic-research
  • bibliography
  • citation-graph
  • cli

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

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.

ODE system solver made simple. For IVPs (initial value problems).

  • runge-kutta-fehlberg
  • runge-kutta
  • simulation
  • ode-solver

An ordinary differential equation solving library in golang.

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

Translatedfractional api base on golang . golang math tools fractional molecular denominator fraction calculation numerator denominator operations

  • fractional
  • molecular
  • denominator
  • operation

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

Quantum randomness source using the ANU hardware QRNG

  • random-number-generators
  • quantum-mechanics

chemmodlab: A Cheminformatics Modeling Laboratory for Fitting and Assessing Machine Learning Models