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Tags: Science and math
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313–336 of 372 · 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

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]

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

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.

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

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

  • fractional
  • molecular
  • denominator
  • operation