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Tags: Science and math
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73–96 of 102 · Most stars

A collection of tasks to probe the effectiveness of protein sequence representations in modeling aspects of protein design

  • protein
  • protein-sequences
  • protein-design
  • representation-learning

Accelerated tensor operations and dynamic neural networks based on reverse mode automatic differentiation for every device that can run Swift - from watchOS to Linux

A .NET library that provides fast, accurate and automatic differentiation (computes derivative / gradient) of mathematical functions.

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)