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Tags: Science and math
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25–37 of 37 · 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

High performance, zero-allocation, low memory usage (8 bytes), low precision (17 digits), partially compatible with int64 and shopspring Decimal