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Tags: Science and math
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1–21 of 21 · Most stars

DNABERT: pre-trained Bidirectional Encoder Representations from Transformers model for DNA-language in genome

  • kmer
  • dnabert-model
  • kmer-format
  • gpu

The official implementation of 3D Equivariant Diffusion for Target-Aware Molecule Generation and Affinity Prediction (ICLR 2023)

TransformerCPI: Improving compound–protein interaction prediction by sequence-based deep learning with self-attention mechanism and label reversal experiments(BIOINFORMATICS 2020) https://doi.org/10.1093/bioinformatics/btaa524

  • self-attention
  • compound-protein-interaction
  • transformercpi
  • structure-free-virtual-sreening

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)