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This is implementation of AlexNet(2012) with 3D Convolution on TensorFlow (AlexNet 3D).

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

This repository contains the official PyTorch implementation of GeoDA algorithm. GeoDA is a Black-box attack to generate adversarial example for image classifiers.